Mercurial > repos > chemteam > gromacs_extract_topology

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

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"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
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-1:000000000000 0:9faa4f4b8b76
1 HW_tip4pew 1 1.008 0.0000 A 0.00000e+00 0.00000e+00
2 OW_tip4pew 8 16.00 0.0000 A 3.16435e-01 6.80946e-01
3 MW 0 0.0000 0.0000 D 0.00000e+00 0.00000e+00