Updated code checks with distance restraints
authorMark Abraham <mark.j.abraham@gmail.com>
Sun, 13 Jan 2013 18:57:36 +0000 (05:57 +1100)
committerMark Abraham <mark.j.abraham@gmail.com>
Sun, 13 Jan 2013 23:21:57 +0000 (00:21 +0100)
commit646000200baa9d725f52e3bab631da8e2b723698
treef812fbb908b591b3227c52f41d8e6fef0c0a00d6
parente86b3a39ca370d7b593cc9395c143170207c9b44
Updated code checks with distance restraints

Ensemble-averaged distance restraints require -multi, and it is
also reasonable to do REMD with distance restraints, which also
requires -multi. So checks for the ensemble-averaging case need
to be more sensitive to their context.

In fact, ensemble-averaging is probably functional only with PD and
one processor per system, since that was probably all that was
available when it was built.

Fixes #613, refs #1117

Change-Id: Ia6f1bb4eb82eab3c7c249638cd3a5a5d1f707132
include/disre.h
src/gmxlib/disre.c
src/kernel/runner.c
src/tools/gmx_disre.c
src/tools/gmx_membed.c