Mercurial > repos > chemteam > gromacs_extract_topology

diff 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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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/water_nonbondedparams.itp	Thu Jan 27 18:17:05 2022 +0000
@@ -0,0 +1,3 @@
+HW_tip4pew   1       1.008   0.0000  A   0.00000e+00  0.00000e+00
+OW_tip4pew   8      16.00    0.0000  A   3.16435e-01  6.80946e-01
+MW           0       0.0000  0.0000  D   0.00000e+00  0.00000e+00