Mercurial > repos > chemteam > gmx_get_builtin_file
comparison get_builtin_file.xml @ 0:a81256d23782 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit a8eac146d0f6b9696f4afaaaa96891e8e324f78e"
| author | chemteam |
|---|---|
| date | Tue, 21 Dec 2021 13:45:19 +0000 |
| parents | |
| children |
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| -1:000000000000 | 0:a81256d23782 |
|---|---|
| 1 <tool id="gmx_get_builtin_file" name="GROMACS copy file" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@"> | |
| 2 <description>from built-in datasets</description> | |
| 3 <macros> | |
| 4 <import>macros.xml</import> | |
| 5 <token name="@GALAXY_VERSION@">0</token> | |
| 6 </macros> | |
| 7 | |
| 8 <expand macro="requirements" /> | |
| 9 | |
| 10 <command detect_errors="exit_code"><![CDATA[ | |
| 11 cp "\$GMXDATA"'/top/${filename}' '${output1}' | |
| 12 ]]></command> | |
| 13 <inputs> | |
| 14 <param name="filename" type="select" label="File to copy"> | |
| 15 <option value="table6-12.xvg">table6-12.xvg</option> | |
| 16 <option value="nsfactor.dat">nsfactor.dat</option> | |
| 17 <option value="xlateat.dat">xlateat.dat</option> | |
| 18 <option value="spc216.gro">spc216.gro</option> | |
| 19 <option value="residues.xml">residues.xml</option> | |
| 20 <option value="specbond.dat">specbond.dat</option> | |
| 21 <option value="tip5p.gro">tip5p.gro</option> | |
| 22 <option value="table6-10.xvg">table6-10.xvg</option> | |
| 23 <option value="random.dat">random.dat</option> | |
| 24 <option value="atom_nom.tbl">atom_nom.tbl</option> | |
| 25 <option value="cb-shift.dat">cb-shift.dat</option> | |
| 26 <option value="table6-9.xvg">table6-9.xvg</option> | |
| 27 <option value="defselection.dat">defselection.dat</option> | |
| 28 <option value="bonds.dlg">bonds.dlg</option> | |
| 29 <option value="vdwradii.dat">vdwradii.dat</option> | |
| 30 <option value="flexwat-ferguson.itp">flexwat-ferguson.itp</option> | |
| 31 <option value="ps.m2p">ps.m2p</option> | |
| 32 <option value="ffoplsaa-n.tst">ffoplsaa-n.tst</option> | |
| 33 <option value="residues.dtd">residues.dtd</option> | |
| 34 <option value="residuetypes.dat">residuetypes.dat</option> | |
| 35 <option value="table6-8.xvg">table6-8.xvg</option> | |
| 36 <option value="sfactor.dat">sfactor.dat</option> | |
| 37 <option value="co-shift.dat">co-shift.dat</option> | |
| 38 <option value="ha-shift.dat">ha-shift.dat</option> | |
| 39 <option value="ss.map">ss.map</option> | |
| 40 <option value="ca-shift.dat">ca-shift.dat</option> | |
| 41 <option value="vdw-msms.dat">vdw-msms.dat</option> | |
| 42 <option value="atommass.dat">atommass.dat</option> | |
| 43 <option value="dgsolv.dat">dgsolv.dat</option> | |
| 44 <option value="surface.dat">surface.dat</option> | |
| 45 <option value="electroneg.dat">electroneg.dat</option> | |
| 46 <option value="sw.itp">sw.itp</option> | |
| 47 <option value="tip4p.gro">tip4p.gro</option> | |
| 48 <option value="refi_aa.dat">refi_aa.dat</option> | |
| 49 <option value="edissoc.dat">edissoc.dat</option> | |
| 50 <option value="table6-11.xvg">table6-11.xvg</option> | |
| 51 <option value="phbres.dat">phbres.dat</option> | |
| 52 <option value="export.dlg">export.dlg</option> | |
| 53 <option value="elements.dat">elements.dat</option> | |
| 54 <option value="charmm27.ff/lipids.rtp">charmm27.ff/lipids.rtp</option> | |
| 55 <option value="charmm27.ff/rna.c.tdb">charmm27.ff/rna.c.tdb</option> | |
| 56 <option value="charmm27.ff/forcefield.doc">charmm27.ff/forcefield.doc</option> | |
| 57 <option value="charmm27.ff/ffnanonbonded.itp">charmm27.ff/ffnanonbonded.itp</option> | |
| 58 <option value="charmm27.ff/atomtypes.atp">charmm27.ff/atomtypes.atp</option> | |
| 59 <option value="charmm27.ff/watermodels.dat">charmm27.ff/watermodels.dat</option> | |
| 60 <option value="charmm27.ff/tip4p.itp">charmm27.ff/tip4p.itp</option> | |
| 61 <option value="charmm27.ff/dna.c.tdb">charmm27.ff/dna.c.tdb</option> | |
| 62 <option value="charmm27.ff/ions.itp">charmm27.ff/ions.itp</option> | |
| 63 <option value="charmm27.ff/spc.itp">charmm27.ff/spc.itp</option> | |
| 64 <option value="charmm27.ff/aminoacids.vsd">charmm27.ff/aminoacids.vsd</option> | |
| 65 <option value="charmm27.ff/spce.itp">charmm27.ff/spce.itp</option> | |
| 66 <option value="charmm27.ff/tip5p.itp">charmm27.ff/tip5p.itp</option> | |
| 67 <option value="charmm27.ff/rna.arn">charmm27.ff/rna.arn</option> | |
| 68 <option value="charmm27.ff/aminoacids.n.tdb">charmm27.ff/aminoacids.n.tdb</option> | |
| 69 <option value="charmm27.ff/rna.rtp">charmm27.ff/rna.rtp</option> | |
| 70 <option value="charmm27.ff/ffbonded.itp">charmm27.ff/ffbonded.itp</option> | |
| 71 <option value="charmm27.ff/rna.hdb">charmm27.ff/rna.hdb</option> | |
| 72 <option value="charmm27.ff/aminoacids.arn">charmm27.ff/aminoacids.arn</option> | |
| 73 <option value="charmm27.ff/ffnonbonded.itp">charmm27.ff/ffnonbonded.itp</option> | |
| 74 <option value="charmm27.ff/tip3p.itp">charmm27.ff/tip3p.itp</option> | |
| 75 <option value="charmm27.ff/tips3p.itp">charmm27.ff/tips3p.itp</option> | |
| 76 <option value="charmm27.ff/dna.hdb">charmm27.ff/dna.hdb</option> | |
| 77 <option value="charmm27.ff/dna.rtp">charmm27.ff/dna.rtp</option> | |
| 78 <option value="charmm27.ff/aminoacids.hdb">charmm27.ff/aminoacids.hdb</option> | |
| 79 <option value="charmm27.ff/ffnabonded.itp">charmm27.ff/ffnabonded.itp</option> | |
| 80 <option value="charmm27.ff/aminoacids.c.tdb">charmm27.ff/aminoacids.c.tdb</option> | |
| 81 <option value="charmm27.ff/aminoacids.rtp">charmm27.ff/aminoacids.rtp</option> | |
| 82 <option value="charmm27.ff/dna.n.tdb">charmm27.ff/dna.n.tdb</option> | |
| 83 <option value="charmm27.ff/dna.arn">charmm27.ff/dna.arn</option> | |
| 84 <option value="charmm27.ff/rna.n.tdb">charmm27.ff/rna.n.tdb</option> | |
| 85 <option value="charmm27.ff/rna.r2b">charmm27.ff/rna.r2b</option> | |
| 86 <option value="charmm27.ff/aminoacids.r2b">charmm27.ff/aminoacids.r2b</option> | |
| 87 <option value="charmm27.ff/cmap.itp">charmm27.ff/cmap.itp</option> | |
| 88 <option value="charmm27.ff/forcefield.itp">charmm27.ff/forcefield.itp</option> | |
| 89 <option value="charmm27.ff/lipids.hdb">charmm27.ff/lipids.hdb</option> | |
| 90 <option value="amber03.ff/forcefield.doc">amber03.ff/forcefield.doc</option> | |
| 91 <option value="amber03.ff/atomtypes.atp">amber03.ff/atomtypes.atp</option> | |
| 92 <option value="amber03.ff/watermodels.dat">amber03.ff/watermodels.dat</option> | |
| 93 <option value="amber03.ff/tip4p.itp">amber03.ff/tip4p.itp</option> | |
| 94 <option value="amber03.ff/ions.itp">amber03.ff/ions.itp</option> | |
| 95 <option value="amber03.ff/spc.itp">amber03.ff/spc.itp</option> | |
| 96 <option value="amber03.ff/aminoacids.vsd">amber03.ff/aminoacids.vsd</option> | |
| 97 <option value="amber03.ff/spce.itp">amber03.ff/spce.itp</option> | |
| 98 <option value="amber03.ff/tip5p.itp">amber03.ff/tip5p.itp</option> | |
| 99 <option value="amber03.ff/rna.arn">amber03.ff/rna.arn</option> | |
| 100 <option value="amber03.ff/aminoacids.n.tdb">amber03.ff/aminoacids.n.tdb</option> | |
| 101 <option value="amber03.ff/rna.rtp">amber03.ff/rna.rtp</option> | |
| 102 <option value="amber03.ff/ffbonded.itp">amber03.ff/ffbonded.itp</option> | |
| 103 <option value="amber03.ff/rna.hdb">amber03.ff/rna.hdb</option> | |
| 104 <option value="amber03.ff/aminoacids.arn">amber03.ff/aminoacids.arn</option> | |
| 105 <option value="amber03.ff/ffnonbonded.itp">amber03.ff/ffnonbonded.itp</option> | |
| 106 <option value="amber03.ff/urea.itp">amber03.ff/urea.itp</option> | |
| 107 <option value="amber03.ff/tip3p.itp">amber03.ff/tip3p.itp</option> | |
| 108 <option value="amber03.ff/dna.hdb">amber03.ff/dna.hdb</option> | |
| 109 <option value="amber03.ff/dna.rtp">amber03.ff/dna.rtp</option> | |
| 110 <option value="amber03.ff/aminoacids.hdb">amber03.ff/aminoacids.hdb</option> | |
| 111 <option value="amber03.ff/aminoacids.c.tdb">amber03.ff/aminoacids.c.tdb</option> | |
| 112 <option value="amber03.ff/tip4pew.itp">amber03.ff/tip4pew.itp</option> | |
| 113 <option value="amber03.ff/aminoacids.rtp">amber03.ff/aminoacids.rtp</option> | |
| 114 <option value="amber03.ff/dna.r2b">amber03.ff/dna.r2b</option> | |
| 115 <option value="amber03.ff/dna.arn">amber03.ff/dna.arn</option> | |
| 116 <option value="amber03.ff/rna.r2b">amber03.ff/rna.r2b</option> | |
| 117 <option value="amber03.ff/aminoacids.r2b">amber03.ff/aminoacids.r2b</option> | |
| 118 <option value="amber03.ff/forcefield.itp">amber03.ff/forcefield.itp</option> | |
| 119 <option value="gromos45a3.ff/ff_dum.itp">gromos45a3.ff/ff_dum.itp</option> | |
| 120 <option value="gromos45a3.ff/forcefield.doc">gromos45a3.ff/forcefield.doc</option> | |
| 121 <option value="gromos45a3.ff/atomtypes.atp">gromos45a3.ff/atomtypes.atp</option> | |
| 122 <option value="gromos45a3.ff/watermodels.dat">gromos45a3.ff/watermodels.dat</option> | |
| 123 <option value="gromos45a3.ff/tip4p.itp">gromos45a3.ff/tip4p.itp</option> | |
| 124 <option value="gromos45a3.ff/ions.itp">gromos45a3.ff/ions.itp</option> | |
| 125 <option value="gromos45a3.ff/spc.itp">gromos45a3.ff/spc.itp</option> | |
| 126 <option value="gromos45a3.ff/aminoacids.vsd">gromos45a3.ff/aminoacids.vsd</option> | |
| 127 <option value="gromos45a3.ff/spce.itp">gromos45a3.ff/spce.itp</option> | |
| 128 <option value="gromos45a3.ff/aminoacids.n.tdb">gromos45a3.ff/aminoacids.n.tdb</option> | |
| 129 <option value="gromos45a3.ff/ffbonded.itp">gromos45a3.ff/ffbonded.itp</option> | |
| 130 <option value="gromos45a3.ff/ffnonbonded.itp">gromos45a3.ff/ffnonbonded.itp</option> | |
| 131 <option value="gromos45a3.ff/tip3p.itp">gromos45a3.ff/tip3p.itp</option> | |
| 132 <option value="gromos45a3.ff/aminoacids.hdb">gromos45a3.ff/aminoacids.hdb</option> | |
| 133 <option value="gromos45a3.ff/aminoacids.c.tdb">gromos45a3.ff/aminoacids.c.tdb</option> | |
| 134 <option value="gromos45a3.ff/aminoacids.rtp">gromos45a3.ff/aminoacids.rtp</option> | |
| 135 <option value="gromos45a3.ff/aminoacids.r2b">gromos45a3.ff/aminoacids.r2b</option> | |
| 136 <option value="gromos45a3.ff/forcefield.itp">gromos45a3.ff/forcefield.itp</option> | |
| 137 <option value="amber99sb.ff/forcefield.doc">amber99sb.ff/forcefield.doc</option> | |
| 138 <option value="amber99sb.ff/atomtypes.atp">amber99sb.ff/atomtypes.atp</option> | |
| 139 <option value="amber99sb.ff/watermodels.dat">amber99sb.ff/watermodels.dat</option> | |
| 140 <option value="amber99sb.ff/tip4p.itp">amber99sb.ff/tip4p.itp</option> | |
| 141 <option value="amber99sb.ff/ions.itp">amber99sb.ff/ions.itp</option> | |
| 142 <option value="amber99sb.ff/spc.itp">amber99sb.ff/spc.itp</option> | |
| 143 <option value="amber99sb.ff/aminoacids.vsd">amber99sb.ff/aminoacids.vsd</option> | |
| 144 <option value="amber99sb.ff/spce.itp">amber99sb.ff/spce.itp</option> | |
| 145 <option value="amber99sb.ff/tip5p.itp">amber99sb.ff/tip5p.itp</option> | |
| 146 <option value="amber99sb.ff/rna.arn">amber99sb.ff/rna.arn</option> | |
| 147 <option value="amber99sb.ff/aminoacids.n.tdb">amber99sb.ff/aminoacids.n.tdb</option> | |
| 148 <option value="amber99sb.ff/rna.rtp">amber99sb.ff/rna.rtp</option> | |
| 149 <option value="amber99sb.ff/ffbonded.itp">amber99sb.ff/ffbonded.itp</option> | |
| 150 <option value="amber99sb.ff/rna.hdb">amber99sb.ff/rna.hdb</option> | |
| 151 <option value="amber99sb.ff/aminoacids.arn">amber99sb.ff/aminoacids.arn</option> | |
| 152 <option value="amber99sb.ff/ffnonbonded.itp">amber99sb.ff/ffnonbonded.itp</option> | |
| 153 <option value="amber99sb.ff/urea.itp">amber99sb.ff/urea.itp</option> | |
| 154 <option value="amber99sb.ff/tip3p.itp">amber99sb.ff/tip3p.itp</option> | |
| 155 <option value="amber99sb.ff/dna.hdb">amber99sb.ff/dna.hdb</option> | |
| 156 <option value="amber99sb.ff/dna.rtp">amber99sb.ff/dna.rtp</option> | |
| 157 <option value="amber99sb.ff/aminoacids.hdb">amber99sb.ff/aminoacids.hdb</option> | |
| 158 <option value="amber99sb.ff/aminoacids.c.tdb">amber99sb.ff/aminoacids.c.tdb</option> | |
| 159 <option value="amber99sb.ff/tip4pew.itp">amber99sb.ff/tip4pew.itp</option> | |
| 160 <option value="amber99sb.ff/aminoacids.rtp">amber99sb.ff/aminoacids.rtp</option> | |
| 161 <option value="amber99sb.ff/dna.r2b">amber99sb.ff/dna.r2b</option> | |
| 162 <option value="amber99sb.ff/dna.arn">amber99sb.ff/dna.arn</option> | |
| 163 <option value="amber99sb.ff/rna.r2b">amber99sb.ff/rna.r2b</option> | |
| 164 <option value="amber99sb.ff/aminoacids.r2b">amber99sb.ff/aminoacids.r2b</option> | |
| 165 <option value="amber99sb.ff/forcefield.itp">amber99sb.ff/forcefield.itp</option> | |
| 166 <option value="gromos43a2.ff/ff_dum.itp">gromos43a2.ff/ff_dum.itp</option> | |
| 167 <option value="gromos43a2.ff/forcefield.doc">gromos43a2.ff/forcefield.doc</option> | |
| 168 <option value="gromos43a2.ff/atomtypes.atp">gromos43a2.ff/atomtypes.atp</option> | |
| 169 <option value="gromos43a2.ff/watermodels.dat">gromos43a2.ff/watermodels.dat</option> | |
| 170 <option value="gromos43a2.ff/tip4p.itp">gromos43a2.ff/tip4p.itp</option> | |
| 171 <option value="gromos43a2.ff/ions.itp">gromos43a2.ff/ions.itp</option> | |
| 172 <option value="gromos43a2.ff/spc.itp">gromos43a2.ff/spc.itp</option> | |
| 173 <option value="gromos43a2.ff/aminoacids.vsd">gromos43a2.ff/aminoacids.vsd</option> | |
| 174 <option value="gromos43a2.ff/spce.itp">gromos43a2.ff/spce.itp</option> | |
| 175 <option value="gromos43a2.ff/aminoacids.n.tdb">gromos43a2.ff/aminoacids.n.tdb</option> | |
| 176 <option value="gromos43a2.ff/ffbonded.itp">gromos43a2.ff/ffbonded.itp</option> | |
| 177 <option value="gromos43a2.ff/ffnonbonded.itp">gromos43a2.ff/ffnonbonded.itp</option> | |
| 178 <option value="gromos43a2.ff/tip3p.itp">gromos43a2.ff/tip3p.itp</option> | |
| 179 <option value="gromos43a2.ff/aminoacids.hdb">gromos43a2.ff/aminoacids.hdb</option> | |
| 180 <option value="gromos43a2.ff/aminoacids.c.tdb">gromos43a2.ff/aminoacids.c.tdb</option> | |
| 181 <option value="gromos43a2.ff/aminoacids.rtp">gromos43a2.ff/aminoacids.rtp</option> | |
| 182 <option value="gromos43a2.ff/aminoacids.r2b">gromos43a2.ff/aminoacids.r2b</option> | |
| 183 <option value="gromos43a2.ff/forcefield.itp">gromos43a2.ff/forcefield.itp</option> | |
| 184 <option value="oplsaa.ff/forcefield.doc">oplsaa.ff/forcefield.doc</option> | |
| 185 <option value="oplsaa.ff/atomtypes.atp">oplsaa.ff/atomtypes.atp</option> | |
| 186 <option value="oplsaa.ff/watermodels.dat">oplsaa.ff/watermodels.dat</option> | |
| 187 <option value="oplsaa.ff/tip4p.itp">oplsaa.ff/tip4p.itp</option> | |
| 188 <option value="oplsaa.ff/ions.itp">oplsaa.ff/ions.itp</option> | |
| 189 <option value="oplsaa.ff/tip5pe.itp">oplsaa.ff/tip5pe.itp</option> | |
| 190 <option value="oplsaa.ff/spc.itp">oplsaa.ff/spc.itp</option> | |
| 191 <option value="oplsaa.ff/aminoacids.vsd">oplsaa.ff/aminoacids.vsd</option> | |
| 192 <option value="oplsaa.ff/spce.itp">oplsaa.ff/spce.itp</option> | |
| 193 <option value="oplsaa.ff/ethanol.itp">oplsaa.ff/ethanol.itp</option> | |
| 194 <option value="oplsaa.ff/tip5p.itp">oplsaa.ff/tip5p.itp</option> | |
| 195 <option value="oplsaa.ff/aminoacids.n.tdb">oplsaa.ff/aminoacids.n.tdb</option> | |
| 196 <option value="oplsaa.ff/ffbonded.itp">oplsaa.ff/ffbonded.itp</option> | |
| 197 <option value="oplsaa.ff/ffnonbonded.itp">oplsaa.ff/ffnonbonded.itp</option> | |
| 198 <option value="oplsaa.ff/tip3p.itp">oplsaa.ff/tip3p.itp</option> | |
| 199 <option value="oplsaa.ff/aminoacids.hdb">oplsaa.ff/aminoacids.hdb</option> | |
| 200 <option value="oplsaa.ff/aminoacids.c.tdb">oplsaa.ff/aminoacids.c.tdb</option> | |
| 201 <option value="oplsaa.ff/tip4pew.itp">oplsaa.ff/tip4pew.itp</option> | |
| 202 <option value="oplsaa.ff/methanol.itp">oplsaa.ff/methanol.itp</option> | |
| 203 <option value="oplsaa.ff/aminoacids.rtp">oplsaa.ff/aminoacids.rtp</option> | |
| 204 <option value="oplsaa.ff/1propanol.itp">oplsaa.ff/1propanol.itp</option> | |
| 205 <option value="oplsaa.ff/aminoacids.r2b">oplsaa.ff/aminoacids.r2b</option> | |
| 206 <option value="oplsaa.ff/forcefield.itp">oplsaa.ff/forcefield.itp</option> | |
| 207 <option value="oplsaa.ff/atomname2type.n2t">oplsaa.ff/atomname2type.n2t</option> | |
| 208 <option value="amber94.ff/forcefield.doc">amber94.ff/forcefield.doc</option> | |
| 209 <option value="amber94.ff/atomtypes.atp">amber94.ff/atomtypes.atp</option> | |
| 210 <option value="amber94.ff/watermodels.dat">amber94.ff/watermodels.dat</option> | |
| 211 <option value="amber94.ff/tip4p.itp">amber94.ff/tip4p.itp</option> | |
| 212 <option value="amber94.ff/ions.itp">amber94.ff/ions.itp</option> | |
| 213 <option value="amber94.ff/spc.itp">amber94.ff/spc.itp</option> | |
| 214 <option value="amber94.ff/aminoacids.vsd">amber94.ff/aminoacids.vsd</option> | |
| 215 <option value="amber94.ff/spce.itp">amber94.ff/spce.itp</option> | |
| 216 <option value="amber94.ff/tip5p.itp">amber94.ff/tip5p.itp</option> | |
| 217 <option value="amber94.ff/rna.arn">amber94.ff/rna.arn</option> | |
| 218 <option value="amber94.ff/aminoacids.n.tdb">amber94.ff/aminoacids.n.tdb</option> | |
| 219 <option value="amber94.ff/rna.rtp">amber94.ff/rna.rtp</option> | |
| 220 <option value="amber94.ff/ffbonded.itp">amber94.ff/ffbonded.itp</option> | |
| 221 <option value="amber94.ff/rna.hdb">amber94.ff/rna.hdb</option> | |
| 222 <option value="amber94.ff/aminoacids.arn">amber94.ff/aminoacids.arn</option> | |
| 223 <option value="amber94.ff/ffnonbonded.itp">amber94.ff/ffnonbonded.itp</option> | |
| 224 <option value="amber94.ff/urea.itp">amber94.ff/urea.itp</option> | |
| 225 <option value="amber94.ff/tip3p.itp">amber94.ff/tip3p.itp</option> | |
| 226 <option value="amber94.ff/dna.hdb">amber94.ff/dna.hdb</option> | |
| 227 <option value="amber94.ff/dna.rtp">amber94.ff/dna.rtp</option> | |
| 228 <option value="amber94.ff/aminoacids.hdb">amber94.ff/aminoacids.hdb</option> | |
| 229 <option value="amber94.ff/aminoacids.c.tdb">amber94.ff/aminoacids.c.tdb</option> | |
| 230 <option value="amber94.ff/tip4pew.itp">amber94.ff/tip4pew.itp</option> | |
| 231 <option value="amber94.ff/aminoacids.rtp">amber94.ff/aminoacids.rtp</option> | |
| 232 <option value="amber94.ff/dna.r2b">amber94.ff/dna.r2b</option> | |
| 233 <option value="amber94.ff/dna.arn">amber94.ff/dna.arn</option> | |
| 234 <option value="amber94.ff/rna.r2b">amber94.ff/rna.r2b</option> | |
| 235 <option value="amber94.ff/aminoacids.r2b">amber94.ff/aminoacids.r2b</option> | |
| 236 <option value="amber94.ff/forcefield.itp">amber94.ff/forcefield.itp</option> | |
| 237 <option value="gromos54a7.ff/dppc.itp">gromos54a7.ff/dppc.itp</option> | |
| 238 <option value="gromos54a7.ff/ff_dum.itp">gromos54a7.ff/ff_dum.itp</option> | |
| 239 <option value="gromos54a7.ff/forcefield.doc">gromos54a7.ff/forcefield.doc</option> | |
| 240 <option value="gromos54a7.ff/atomtypes.atp">gromos54a7.ff/atomtypes.atp</option> | |
| 241 <option value="gromos54a7.ff/watermodels.dat">gromos54a7.ff/watermodels.dat</option> | |
| 242 <option value="gromos54a7.ff/popc.itp">gromos54a7.ff/popc.itp</option> | |
| 243 <option value="gromos54a7.ff/tip4p.itp">gromos54a7.ff/tip4p.itp</option> | |
| 244 <option value="gromos54a7.ff/ions.itp">gromos54a7.ff/ions.itp</option> | |
| 245 <option value="gromos54a7.ff/spc.itp">gromos54a7.ff/spc.itp</option> | |
| 246 <option value="gromos54a7.ff/aminoacids.vsd">gromos54a7.ff/aminoacids.vsd</option> | |
| 247 <option value="gromos54a7.ff/tmcl.itp">gromos54a7.ff/tmcl.itp</option> | |
| 248 <option value="gromos54a7.ff/spce.itp">gromos54a7.ff/spce.itp</option> | |
| 249 <option value="gromos54a7.ff/aminoacids.n.tdb">gromos54a7.ff/aminoacids.n.tdb</option> | |
| 250 <option value="gromos54a7.ff/ffbonded.itp">gromos54a7.ff/ffbonded.itp</option> | |
| 251 <option value="gromos54a7.ff/ffnonbonded.itp">gromos54a7.ff/ffnonbonded.itp</option> | |
| 252 <option value="gromos54a7.ff/tip3p.itp">gromos54a7.ff/tip3p.itp</option> | |
| 253 <option value="gromos54a7.ff/aminoacids.hdb">gromos54a7.ff/aminoacids.hdb</option> | |
| 254 <option value="gromos54a7.ff/aminoacids.c.tdb">gromos54a7.ff/aminoacids.c.tdb</option> | |
| 255 <option value="gromos54a7.ff/aminoacids.rtp">gromos54a7.ff/aminoacids.rtp</option> | |
| 256 <option value="gromos54a7.ff/aminoacids.r2b">gromos54a7.ff/aminoacids.r2b</option> | |
| 257 <option value="gromos54a7.ff/forcefield.itp">gromos54a7.ff/forcefield.itp</option> | |
| 258 <option value="amber99sb-ildn.ff/forcefield.doc">amber99sb-ildn.ff/forcefield.doc</option> | |
| 259 <option value="amber99sb-ildn.ff/atomtypes.atp">amber99sb-ildn.ff/atomtypes.atp</option> | |
| 260 <option value="amber99sb-ildn.ff/watermodels.dat">amber99sb-ildn.ff/watermodels.dat</option> | |
| 261 <option value="amber99sb-ildn.ff/tip4p.itp">amber99sb-ildn.ff/tip4p.itp</option> | |
| 262 <option value="amber99sb-ildn.ff/ions.itp">amber99sb-ildn.ff/ions.itp</option> | |
| 263 <option value="amber99sb-ildn.ff/spc.itp">amber99sb-ildn.ff/spc.itp</option> | |
| 264 <option value="amber99sb-ildn.ff/aminoacids.vsd">amber99sb-ildn.ff/aminoacids.vsd</option> | |
| 265 <option value="amber99sb-ildn.ff/spce.itp">amber99sb-ildn.ff/spce.itp</option> | |
| 266 <option value="amber99sb-ildn.ff/tip5p.itp">amber99sb-ildn.ff/tip5p.itp</option> | |
| 267 <option value="amber99sb-ildn.ff/rna.arn">amber99sb-ildn.ff/rna.arn</option> | |
| 268 <option value="amber99sb-ildn.ff/aminoacids.n.tdb">amber99sb-ildn.ff/aminoacids.n.tdb</option> | |
| 269 <option value="amber99sb-ildn.ff/rna.rtp">amber99sb-ildn.ff/rna.rtp</option> | |
| 270 <option value="amber99sb-ildn.ff/ffbonded.itp">amber99sb-ildn.ff/ffbonded.itp</option> | |
| 271 <option value="amber99sb-ildn.ff/rna.hdb">amber99sb-ildn.ff/rna.hdb</option> | |
| 272 <option value="amber99sb-ildn.ff/aminoacids.arn">amber99sb-ildn.ff/aminoacids.arn</option> | |
| 273 <option value="amber99sb-ildn.ff/ffnonbonded.itp">amber99sb-ildn.ff/ffnonbonded.itp</option> | |
| 274 <option value="amber99sb-ildn.ff/urea.itp">amber99sb-ildn.ff/urea.itp</option> | |
| 275 <option value="amber99sb-ildn.ff/tip3p.itp">amber99sb-ildn.ff/tip3p.itp</option> | |
| 276 <option value="amber99sb-ildn.ff/dna.hdb">amber99sb-ildn.ff/dna.hdb</option> | |
| 277 <option value="amber99sb-ildn.ff/dna.rtp">amber99sb-ildn.ff/dna.rtp</option> | |
| 278 <option value="amber99sb-ildn.ff/aminoacids.hdb">amber99sb-ildn.ff/aminoacids.hdb</option> | |
| 279 <option value="amber99sb-ildn.ff/aminoacids.c.tdb">amber99sb-ildn.ff/aminoacids.c.tdb</option> | |
| 280 <option value="amber99sb-ildn.ff/tip4pew.itp">amber99sb-ildn.ff/tip4pew.itp</option> | |
| 281 <option value="amber99sb-ildn.ff/aminoacids.rtp">amber99sb-ildn.ff/aminoacids.rtp</option> | |
| 282 <option value="amber99sb-ildn.ff/dna.r2b">amber99sb-ildn.ff/dna.r2b</option> | |
| 283 <option value="amber99sb-ildn.ff/dna.arn">amber99sb-ildn.ff/dna.arn</option> | |
| 284 <option value="amber99sb-ildn.ff/rna.r2b">amber99sb-ildn.ff/rna.r2b</option> | |
| 285 <option value="amber99sb-ildn.ff/aminoacids.r2b">amber99sb-ildn.ff/aminoacids.r2b</option> | |
| 286 <option value="amber99sb-ildn.ff/forcefield.itp">amber99sb-ildn.ff/forcefield.itp</option> | |
| 287 <option value="gromos53a5.ff/ff_dum.itp">gromos53a5.ff/ff_dum.itp</option> | |
| 288 <option value="gromos53a5.ff/forcefield.doc">gromos53a5.ff/forcefield.doc</option> | |
| 289 <option value="gromos53a5.ff/atomtypes.atp">gromos53a5.ff/atomtypes.atp</option> | |
| 290 <option value="gromos53a5.ff/watermodels.dat">gromos53a5.ff/watermodels.dat</option> | |
| 291 <option value="gromos53a5.ff/tip4p.itp">gromos53a5.ff/tip4p.itp</option> | |
| 292 <option value="gromos53a5.ff/ions.itp">gromos53a5.ff/ions.itp</option> | |
| 293 <option value="gromos53a5.ff/spc.itp">gromos53a5.ff/spc.itp</option> | |
| 294 <option value="gromos53a5.ff/aminoacids.vsd">gromos53a5.ff/aminoacids.vsd</option> | |
| 295 <option value="gromos53a5.ff/spce.itp">gromos53a5.ff/spce.itp</option> | |
| 296 <option value="gromos53a5.ff/aminoacids.n.tdb">gromos53a5.ff/aminoacids.n.tdb</option> | |
| 297 <option value="gromos53a5.ff/ffbonded.itp">gromos53a5.ff/ffbonded.itp</option> | |
| 298 <option value="gromos53a5.ff/ffnonbonded.itp">gromos53a5.ff/ffnonbonded.itp</option> | |
| 299 <option value="gromos53a5.ff/tip3p.itp">gromos53a5.ff/tip3p.itp</option> | |
| 300 <option value="gromos53a5.ff/aminoacids.hdb">gromos53a5.ff/aminoacids.hdb</option> | |
| 301 <option value="gromos53a5.ff/aminoacids.c.tdb">gromos53a5.ff/aminoacids.c.tdb</option> | |
| 302 <option value="gromos53a5.ff/aminoacids.rtp">gromos53a5.ff/aminoacids.rtp</option> | |
| 303 <option value="gromos53a5.ff/aminoacids.r2b">gromos53a5.ff/aminoacids.r2b</option> | |
| 304 <option value="gromos53a5.ff/forcefield.itp">gromos53a5.ff/forcefield.itp</option> | |
| 305 <option value="gromos53a5.ff/atomname2type.n2t">gromos53a5.ff/atomname2type.n2t</option> | |
| 306 <option value="amberGS.ff/forcefield.doc">amberGS.ff/forcefield.doc</option> | |
| 307 <option value="amberGS.ff/atomtypes.atp">amberGS.ff/atomtypes.atp</option> | |
| 308 <option value="amberGS.ff/watermodels.dat">amberGS.ff/watermodels.dat</option> | |
| 309 <option value="amberGS.ff/tip4p.itp">amberGS.ff/tip4p.itp</option> | |
| 310 <option value="amberGS.ff/ions.itp">amberGS.ff/ions.itp</option> | |
| 311 <option value="amberGS.ff/spc.itp">amberGS.ff/spc.itp</option> | |
| 312 <option value="amberGS.ff/aminoacids.vsd">amberGS.ff/aminoacids.vsd</option> | |
| 313 <option value="amberGS.ff/spce.itp">amberGS.ff/spce.itp</option> | |
| 314 <option value="amberGS.ff/tip5p.itp">amberGS.ff/tip5p.itp</option> | |
| 315 <option value="amberGS.ff/rna.arn">amberGS.ff/rna.arn</option> | |
| 316 <option value="amberGS.ff/aminoacids.n.tdb">amberGS.ff/aminoacids.n.tdb</option> | |
| 317 <option value="amberGS.ff/rna.rtp">amberGS.ff/rna.rtp</option> | |
| 318 <option value="amberGS.ff/ffbonded.itp">amberGS.ff/ffbonded.itp</option> | |
| 319 <option value="amberGS.ff/rna.hdb">amberGS.ff/rna.hdb</option> | |
| 320 <option value="amberGS.ff/aminoacids.arn">amberGS.ff/aminoacids.arn</option> | |
| 321 <option value="amberGS.ff/ffnonbonded.itp">amberGS.ff/ffnonbonded.itp</option> | |
| 322 <option value="amberGS.ff/urea.itp">amberGS.ff/urea.itp</option> | |
| 323 <option value="amberGS.ff/tip3p.itp">amberGS.ff/tip3p.itp</option> | |
| 324 <option value="amberGS.ff/dna.hdb">amberGS.ff/dna.hdb</option> | |
| 325 <option value="amberGS.ff/dna.rtp">amberGS.ff/dna.rtp</option> | |
| 326 <option value="amberGS.ff/aminoacids.hdb">amberGS.ff/aminoacids.hdb</option> | |
| 327 <option value="amberGS.ff/aminoacids.c.tdb">amberGS.ff/aminoacids.c.tdb</option> | |
| 328 <option value="amberGS.ff/tip4pew.itp">amberGS.ff/tip4pew.itp</option> | |
| 329 <option value="amberGS.ff/aminoacids.rtp">amberGS.ff/aminoacids.rtp</option> | |
| 330 <option value="amberGS.ff/dna.r2b">amberGS.ff/dna.r2b</option> | |
| 331 <option value="amberGS.ff/dna.arn">amberGS.ff/dna.arn</option> | |
| 332 <option value="amberGS.ff/rna.r2b">amberGS.ff/rna.r2b</option> | |
| 333 <option value="amberGS.ff/aminoacids.r2b">amberGS.ff/aminoacids.r2b</option> | |
| 334 <option value="amberGS.ff/forcefield.itp">amberGS.ff/forcefield.itp</option> | |
| 335 <option value="amber96.ff/forcefield.doc">amber96.ff/forcefield.doc</option> | |
| 336 <option value="amber96.ff/atomtypes.atp">amber96.ff/atomtypes.atp</option> | |
| 337 <option value="amber96.ff/watermodels.dat">amber96.ff/watermodels.dat</option> | |
| 338 <option value="amber96.ff/tip4p.itp">amber96.ff/tip4p.itp</option> | |
| 339 <option value="amber96.ff/ions.itp">amber96.ff/ions.itp</option> | |
| 340 <option value="amber96.ff/spc.itp">amber96.ff/spc.itp</option> | |
| 341 <option value="amber96.ff/aminoacids.vsd">amber96.ff/aminoacids.vsd</option> | |
| 342 <option value="amber96.ff/spce.itp">amber96.ff/spce.itp</option> | |
| 343 <option value="amber96.ff/tip5p.itp">amber96.ff/tip5p.itp</option> | |
| 344 <option value="amber96.ff/rna.arn">amber96.ff/rna.arn</option> | |
| 345 <option value="amber96.ff/aminoacids.n.tdb">amber96.ff/aminoacids.n.tdb</option> | |
| 346 <option value="amber96.ff/rna.rtp">amber96.ff/rna.rtp</option> | |
| 347 <option value="amber96.ff/ffbonded.itp">amber96.ff/ffbonded.itp</option> | |
| 348 <option value="amber96.ff/rna.hdb">amber96.ff/rna.hdb</option> | |
| 349 <option value="amber96.ff/aminoacids.arn">amber96.ff/aminoacids.arn</option> | |
| 350 <option value="amber96.ff/ffnonbonded.itp">amber96.ff/ffnonbonded.itp</option> | |
| 351 <option value="amber96.ff/urea.itp">amber96.ff/urea.itp</option> | |
| 352 <option value="amber96.ff/tip3p.itp">amber96.ff/tip3p.itp</option> | |
| 353 <option value="amber96.ff/dna.hdb">amber96.ff/dna.hdb</option> | |
| 354 <option value="amber96.ff/dna.rtp">amber96.ff/dna.rtp</option> | |
| 355 <option value="amber96.ff/aminoacids.hdb">amber96.ff/aminoacids.hdb</option> | |
| 356 <option value="amber96.ff/aminoacids.c.tdb">amber96.ff/aminoacids.c.tdb</option> | |
| 357 <option value="amber96.ff/tip4pew.itp">amber96.ff/tip4pew.itp</option> | |
| 358 <option value="amber96.ff/aminoacids.rtp">amber96.ff/aminoacids.rtp</option> | |
| 359 <option value="amber96.ff/dna.r2b">amber96.ff/dna.r2b</option> | |
| 360 <option value="amber96.ff/dna.arn">amber96.ff/dna.arn</option> | |
| 361 <option value="amber96.ff/rna.r2b">amber96.ff/rna.r2b</option> | |
| 362 <option value="amber96.ff/aminoacids.r2b">amber96.ff/aminoacids.r2b</option> | |
| 363 <option value="amber96.ff/forcefield.itp">amber96.ff/forcefield.itp</option> | |
| 364 <option value="gromos53a6.ff/ff_dum.itp">gromos53a6.ff/ff_dum.itp</option> | |
| 365 <option value="gromos53a6.ff/forcefield.doc">gromos53a6.ff/forcefield.doc</option> | |
| 366 <option value="gromos53a6.ff/atomtypes.atp">gromos53a6.ff/atomtypes.atp</option> | |
| 367 <option value="gromos53a6.ff/watermodels.dat">gromos53a6.ff/watermodels.dat</option> | |
| 368 <option value="gromos53a6.ff/tip4p.itp">gromos53a6.ff/tip4p.itp</option> | |
| 369 <option value="gromos53a6.ff/ions.itp">gromos53a6.ff/ions.itp</option> | |
| 370 <option value="gromos53a6.ff/spc.itp">gromos53a6.ff/spc.itp</option> | |
| 371 <option value="gromos53a6.ff/aminoacids.vsd">gromos53a6.ff/aminoacids.vsd</option> | |
| 372 <option value="gromos53a6.ff/spce.itp">gromos53a6.ff/spce.itp</option> | |
| 373 <option value="gromos53a6.ff/aminoacids.n.tdb">gromos53a6.ff/aminoacids.n.tdb</option> | |
| 374 <option value="gromos53a6.ff/ffbonded.itp">gromos53a6.ff/ffbonded.itp</option> | |
| 375 <option value="gromos53a6.ff/ffnonbonded.itp">gromos53a6.ff/ffnonbonded.itp</option> | |
| 376 <option value="gromos53a6.ff/tip3p.itp">gromos53a6.ff/tip3p.itp</option> | |
| 377 <option value="gromos53a6.ff/aminoacids.hdb">gromos53a6.ff/aminoacids.hdb</option> | |
| 378 <option value="gromos53a6.ff/aminoacids.c.tdb">gromos53a6.ff/aminoacids.c.tdb</option> | |
| 379 <option value="gromos53a6.ff/aminoacids.rtp">gromos53a6.ff/aminoacids.rtp</option> | |
| 380 <option value="gromos53a6.ff/aminoacids.r2b">gromos53a6.ff/aminoacids.r2b</option> | |
| 381 <option value="gromos53a6.ff/forcefield.itp">gromos53a6.ff/forcefield.itp</option> | |
| 382 <option value="gromos43a1.ff/ff_dum.itp">gromos43a1.ff/ff_dum.itp</option> | |
| 383 <option value="gromos43a1.ff/forcefield.doc">gromos43a1.ff/forcefield.doc</option> | |
| 384 <option value="gromos43a1.ff/atomtypes.atp">gromos43a1.ff/atomtypes.atp</option> | |
| 385 <option value="gromos43a1.ff/watermodels.dat">gromos43a1.ff/watermodels.dat</option> | |
| 386 <option value="gromos43a1.ff/tip4p.itp">gromos43a1.ff/tip4p.itp</option> | |
| 387 <option value="gromos43a1.ff/ions.itp">gromos43a1.ff/ions.itp</option> | |
| 388 <option value="gromos43a1.ff/spc.itp">gromos43a1.ff/spc.itp</option> | |
| 389 <option value="gromos43a1.ff/aminoacids.vsd">gromos43a1.ff/aminoacids.vsd</option> | |
| 390 <option value="gromos43a1.ff/spce.itp">gromos43a1.ff/spce.itp</option> | |
| 391 <option value="gromos43a1.ff/aminoacids.n.tdb">gromos43a1.ff/aminoacids.n.tdb</option> | |
| 392 <option value="gromos43a1.ff/ffbonded.itp">gromos43a1.ff/ffbonded.itp</option> | |
| 393 <option value="gromos43a1.ff/ffnonbonded.itp">gromos43a1.ff/ffnonbonded.itp</option> | |
| 394 <option value="gromos43a1.ff/tip3p.itp">gromos43a1.ff/tip3p.itp</option> | |
| 395 <option value="gromos43a1.ff/aminoacids.hdb">gromos43a1.ff/aminoacids.hdb</option> | |
| 396 <option value="gromos43a1.ff/aminoacids.c.tdb">gromos43a1.ff/aminoacids.c.tdb</option> | |
| 397 <option value="gromos43a1.ff/methanol.itp">gromos43a1.ff/methanol.itp</option> | |
| 398 <option value="gromos43a1.ff/aminoacids.rtp">gromos43a1.ff/aminoacids.rtp</option> | |
| 399 <option value="gromos43a1.ff/aminoacids.r2b">gromos43a1.ff/aminoacids.r2b</option> | |
| 400 <option value="gromos43a1.ff/methanol216.gro">gromos43a1.ff/methanol216.gro</option> | |
| 401 <option value="gromos43a1.ff/forcefield.itp">gromos43a1.ff/forcefield.itp</option> | |
| 402 <option value="amber99.ff/forcefield.doc">amber99.ff/forcefield.doc</option> | |
| 403 <option value="amber99.ff/atomtypes.atp">amber99.ff/atomtypes.atp</option> | |
| 404 <option value="amber99.ff/watermodels.dat">amber99.ff/watermodels.dat</option> | |
| 405 <option value="amber99.ff/tip4p.itp">amber99.ff/tip4p.itp</option> | |
| 406 <option value="amber99.ff/ions.itp">amber99.ff/ions.itp</option> | |
| 407 <option value="amber99.ff/spc.itp">amber99.ff/spc.itp</option> | |
| 408 <option value="amber99.ff/aminoacids.vsd">amber99.ff/aminoacids.vsd</option> | |
| 409 <option value="amber99.ff/spce.itp">amber99.ff/spce.itp</option> | |
| 410 <option value="amber99.ff/tip5p.itp">amber99.ff/tip5p.itp</option> | |
| 411 <option value="amber99.ff/rna.arn">amber99.ff/rna.arn</option> | |
| 412 <option value="amber99.ff/aminoacids.n.tdb">amber99.ff/aminoacids.n.tdb</option> | |
| 413 <option value="amber99.ff/rna.rtp">amber99.ff/rna.rtp</option> | |
| 414 <option value="amber99.ff/ffbonded.itp">amber99.ff/ffbonded.itp</option> | |
| 415 <option value="amber99.ff/rna.hdb">amber99.ff/rna.hdb</option> | |
| 416 <option value="amber99.ff/aminoacids.arn">amber99.ff/aminoacids.arn</option> | |
| 417 <option value="amber99.ff/ffnonbonded.itp">amber99.ff/ffnonbonded.itp</option> | |
| 418 <option value="amber99.ff/urea.itp">amber99.ff/urea.itp</option> | |
| 419 <option value="amber99.ff/tip3p.itp">amber99.ff/tip3p.itp</option> | |
| 420 <option value="amber99.ff/dna.hdb">amber99.ff/dna.hdb</option> | |
| 421 <option value="amber99.ff/dna.rtp">amber99.ff/dna.rtp</option> | |
| 422 <option value="amber99.ff/aminoacids.hdb">amber99.ff/aminoacids.hdb</option> | |
| 423 <option value="amber99.ff/aminoacids.c.tdb">amber99.ff/aminoacids.c.tdb</option> | |
| 424 <option value="amber99.ff/tip4pew.itp">amber99.ff/tip4pew.itp</option> | |
| 425 <option value="amber99.ff/aminoacids.rtp">amber99.ff/aminoacids.rtp</option> | |
| 426 <option value="amber99.ff/dna.r2b">amber99.ff/dna.r2b</option> | |
| 427 <option value="amber99.ff/dna.arn">amber99.ff/dna.arn</option> | |
| 428 <option value="amber99.ff/rna.r2b">amber99.ff/rna.r2b</option> | |
| 429 <option value="amber99.ff/aminoacids.r2b">amber99.ff/aminoacids.r2b</option> | |
| 430 <option value="amber99.ff/forcefield.itp">amber99.ff/forcefield.itp</option> | |
| 431 </param> | |
| 432 </inputs> | |
| 433 <outputs> | |
| 434 <!-- formats ['xvg', 'dat', 'itp', 'gro', 'xml', 'tbl', 'dlg', 'm2p', 'tst', 'dtd', 'README', 'map', 'rtp', 'tdb', 'doc', 'atp', 'vsd', 'arn', 'hdb', 'r2b', 'n2t'] --> | |
| 435 <data name="output1" format="txt" label="GROMACS built-in: ${filename}"> | |
| 436 <change_format> | |
| 437 <when input="${str($filename).split('.')[-1]}" value="xvg" format="xvg" /> | |
| 438 <!-- <when input="${str($filename).split('.')[-1]}" value="dat" format="dat" /> --> | |
| 439 <when input="${str($filename).split('.')[-1]}" value="itp" format="itp" /> | |
| 440 <when input="${str($filename).split('.')[-1]}" value="gro" format="gro" /> | |
| 441 <when input="${str($filename).split('.')[-1]}" value="xml" format="xml" /> | |
| 442 <!-- <when input="${str($filename).split('.')[-1]}" value="tbl" format="tbl" /> --> | |
| 443 <!-- <when input="${str($filename).split('.')[-1]}" value="dlg" format="dlg" /> --> | |
| 444 <!-- <when input="${str($filename).split('.')[-1]}" value="m2p" format="m2p" /> --> | |
| 445 <!-- <when input="${str($filename).split('.')[-1]}" value="tst" format="tst" /> --> | |
| 446 <!-- <when input="${str($filename).split('.')[-1]}" value="dtd" format="dtd" /> --> | |
| 447 <!-- <when input="${str($filename).split('.')[-1]}" value="README" format="README" /> --> | |
| 448 <!-- <when input="${str($filename).split('.')[-1]}" value="map" format="map" /> --> | |
| 449 <!-- <when input="${str($filename).split('.')[-1]}" value="rtp" format="rtp" /> --> | |
| 450 <!-- <when input="${str($filename).split('.')[-1]}" value="tdb" format="tdb" /> --> | |
| 451 <!-- <when input="${str($filename).split('.')[-1]}" value="doc" format="doc" /> --> | |
| 452 <!-- <when input="${str($filename).split('.')[-1]}" value="atp" format="atp" /> --> | |
| 453 <!-- <when input="${str($filename).split('.')[-1]}" value="vsd" format="vsd" /> --> | |
| 454 <!-- <when input="${str($filename).split('.')[-1]}" value="arn" format="arn" /> --> | |
| 455 <!-- <when input="${str($filename).split('.')[-1]}" value="hdb" format="hdb" /> --> | |
| 456 <!-- <when input="${str($filename).split('.')[-1]}" value="r2b" format="r2b" /> --> | |
| 457 <!-- <when input="${str($filename).split('.')[-1]}" value="n2t" format="n2t" /> --> | |
| 458 </change_format> | |
| 459 </data> | |
| 460 </outputs> | |
| 461 <tests> | |
| 462 <test> | |
| 463 <param name="filename" value="oplsaa.ff/tip4p.itp" /> | |
| 464 <output name="output1" file="oplsaa.ff-tip4p.itp" ftype="itp" /> | |
| 465 </test> | |
| 466 </tests> | |
| 467 <help><![CDATA[ | |
| 468 | |
| 469 .. class:: infomark | |
| 470 | |
| 471 **What it does** | |
| 472 | |
| 473 Loads a built-in GROMACS file into your history. | |
| 474 | |
| 475 _____ | |
| 476 | |
| 477 .. class:: infomark | |
| 478 | |
| 479 **Input** | |
| 480 | |
| 481 - Filename. | |
| 482 | |
| 483 _____ | |
| 484 | |
| 485 | |
| 486 .. class:: infomark | |
| 487 | |
| 488 **Output** | |
| 489 | |
| 490 - GROMACS file. | |
| 491 | |
| 492 ]]></help> | |
| 493 | |
| 494 <expand macro="citations" /> | |
| 495 </tool> |