BioD PNPI Git Repos - alexxy/gromacs.git/commit

biod.pnpi.spb.ru / alexxy / gromacs.git / commit

author	David van der Spoel <spoel@xray.bmc.uu.se>
	Wed, 25 Sep 2013 12:00:31 +0000 (14:00 +0200)
committer	Gerrit Code Review <gerrit@gerrit.gromacs.org>
	Thu, 26 Sep 2013 14:35:50 +0000 (16:35 +0200)
commit	5132383c8d532c1bfebaab43c58cccd5ebfa54be
tree	6247d127b82d3e6557f1d6ee827734f7ed4f6b31	tree \| snapshot
parent	605b3593d85d0d2608cc7b43ce3c28916b77baf2	commit \| diff

Made MW of the Vsite particle type.

grompp checks whether particles that are not shells or vsites have
a positive mass. Since MW is used in TIP4P etc. as a massless particle
it should have the appropriate particle type.

Change-Id: I45d0af3230949be8b07a45d131bc10d9d39d945e

19 files changed:

share/top/amber03.ff/ffnonbonded.itp		diff \| blob \| history
share/top/amber94.ff/ffnonbonded.itp		diff \| blob \| history
share/top/amber96.ff/ffnonbonded.itp		diff \| blob \| history
share/top/amber99.ff/ffnonbonded.itp		diff \| blob \| history
share/top/amber99sb-ildn.ff/ffnonbonded.itp		diff \| blob \| history
share/top/amber99sb.ff/ffnonbonded.itp		diff \| blob \| history
share/top/amberGS.ff/ffnonbonded.itp		diff \| blob \| history
share/top/charmm27.ff/ffnonbonded.itp		diff \| blob \| history
share/top/encads.ff/ffnonbonded.itp		diff \| blob \| history
share/top/encadv.ff/ffnonbonded.itp		diff \| blob \| history
share/top/gmx.ff/ffnonbonded.itp		diff \| blob \| history
share/top/gmx2.ff/ffnonbonded.itp		diff \| blob \| history
share/top/gromos43a1.ff/ffnonbonded.itp		diff \| blob \| history
share/top/gromos43a2.ff/ffnonbonded.itp		diff \| blob \| history
share/top/gromos45a3.ff/ffnonbonded.itp		diff \| blob \| history
share/top/gromos53a5.ff/ffnonbonded.itp		diff \| blob \| history
share/top/gromos53a6.ff/ffnonbonded.itp		diff \| blob \| history
share/top/gromos54a7.ff/ffnonbonded.itp		diff \| blob \| history
share/top/oplsaa.ff/ffnonbonded.itp		diff \| blob \| history

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