Fix bug in v-rescale thermostat & replica exchange
commit3a9e67dd55949e7daaa666e5bc4de95bcfece2c4
authorBerk Hess <hess@kth.se>
Mon, 23 May 2016 12:42:49 +0000 (23 14:42 +0200)
committerErik Lindahl <erik@kth.se>
Mon, 23 May 2016 22:36:05 +0000 (24 00:36 +0200)
tree67789c957f330678b04f06d156eb5afc51665c4d
parent3901dc908e129db6b51d9a531115e2bf77c0dc8d
Fix bug in v-rescale thermostat & replica exchange

Commit 2d0247f6 made the random normally distributed number for the
v-rescale thermostat constant for a run only depending on ld-seed,
and moved a reset for replica exchange inside the multi-exchange
branch.

Fixes #1968.

Change-Id: Iadc38ccadb99c6c1232756fd595843a01e5f3ce8
src/gromacs/mdlib/coupling.cpp
src/programs/mdrun/repl_ex.cpp