Mercurial > repos > chemteam > gromacs_extract_topology

annotate test-data/water_nonbondedparams.itp @ 0:9faa4f4b8b76 draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/buildtools/topologyeditors commit ae026d4ea6fe2ebaa53611b86f9047941c7b899b"
author chemteam
date Thu, 27 Jan 2022 18:17:05 +0000
parents
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
0
9faa4f4b8b76 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/buildtools/topologyeditors commit ae026d4ea6fe2ebaa53611b86f9047941c7b899b"
chemteam
parents:
diff changeset
1 HW_tip4pew 1 1.008 0.0000 A 0.00000e+00 0.00000e+00
9faa4f4b8b76 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/buildtools/topologyeditors commit ae026d4ea6fe2ebaa53611b86f9047941c7b899b"
chemteam
parents:
diff changeset
2 OW_tip4pew 8 16.00 0.0000 A 3.16435e-01 6.80946e-01
9faa4f4b8b76 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/buildtools/topologyeditors commit ae026d4ea6fe2ebaa53611b86f9047941c7b899b"
chemteam
parents:
diff changeset
3 MW 0 0.0000 0.0000 D 0.00000e+00 0.00000e+00