biod.pnpi.spb.ru / alexxy / gromacs.git / commit
? search:
summary | shortlog | log | commit | commitdiff | tree
(parent: c71bc50) | patch
Fix multi-sim + DD + simple distance restraints
authorMark Abraham <mark.j.abraham@gmail.com>
Sun, 12 Jun 2016 14:47:37 +0000 (16:47 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Fri, 17 Jun 2016 07:08:16 +0000 (09:08 +0200)
commit5833198845cd99accfa204cf5725233dbed3ef5b
tree4d854318986330966073e08ffa7eb4ea5ba13feetree | snapshot
parentc71bc5060d61fbe33ba31510d14987b2edb12c49commit | diff
Fix multi-sim + DD + simple distance restraints

The check should not look for the existence of a multi-sim, because
the user must also set GMX_DISRE_ENSEMBLE_SIZE in order to get
ensemble restraints.

Fixes #1989

Change-Id: Id8c9aeefb17583a6ef9ef5caf46232bc384f2ecd
src/gromacs/gmxlib/disre.c diff | blob | history
Local GROMACS mirror with custom stuff