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(parent: debd482) | patch
Force g_bond to use structure file
authorErik Lindahl <erik@kth.se>
Wed, 11 Jun 2014 23:10:14 +0000 (01:10 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Fri, 13 Jun 2014 12:18:42 +0000 (14:18 +0200)
commitab9d7e205ec690111fbfb814e282336734dff960
treeabe7b275e000fa194decd72f58e32df31f5a64fftree | snapshot
parentdebd482de1251382507630e42c74898c1dff53dacommit | diff
Force g_bond to use structure file

Previous versions of Gromacs never wrote broken molecules, but
this is no longer true for domain decomposition. Box dimensions
are set from the trajectory, but the molecular connectivity
from the structure file.

Fixes #834.

Change-Id: I61ecb4957ef11e03bfeef10095a406cbddd23a34
src/tools/gmx_bond.c diff | blob | history
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