Mercurial > repos > chemteam > gmx_setup
comparison test-data/posre_cl.itp @ 12:4da9ee404eab draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
| author | chemteam |
|---|---|
| date | Wed, 20 May 2020 13:03:07 -0400 |
| parents | c7bcae9fe040 |
| children |
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| 11:8b2553f4f114 | 12:4da9ee404eab |
|---|---|
| 1 ; position restraints for CL of LYSOZYME in water | |
| 2 | 1 |
| 3 [ position_restraints ] | 2 [ position_restraints ] |
| 4 ; i funct fcx fcy fcz | 3 ; i funct fcx fcy fcz |
| 5 38369 1 500 600 700 | 4 93 1 500 600 700 |
| 6 38370 1 500 600 700 | 5 94 1 500 600 700 |
| 7 38371 1 500 600 700 | |
| 8 38372 1 500 600 700 | |
| 9 38373 1 500 600 700 | |
| 10 38374 1 500 600 700 | |
| 11 38375 1 500 600 700 | |
| 12 38376 1 500 600 700 |