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fixed deadlock with replica exchange and -maxh
author
Berk Hess
<hess@kth.se>
Mon, 3 Jun 2013 19:42:21 +0000
(21:42 +0200)
committer
Berk Hess
<hess@kth.se>
Mon, 3 Jun 2013 19:42:21 +0000
(21:42 +0200)
Fixes #1273
Change-Id: Ib93cce59adf60afe0971944ef41df3a7d9883edc
src/kernel/md.c
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diff --git
a/src/kernel/md.c
b/src/kernel/md.c
index 0ab2b9313fe62312153b4cdbc654c5592a1e16c2..4bf12a67d321324ae7fb22a25d2fb39f1aa35d53 100644
(file)
--- a/
src/kernel/md.c
+++ b/
src/kernel/md.c
@@
-979,8
+979,8
@@
double do_md(FILE *fplog, t_commrec *cr, int nfile, const t_filenm fnm[],
}
/* < 0 means stop at next step, > 0 means stop at next NS step */
- if ( (gs.set[eglsSTOPCOND] < 0
) ||
- ( (gs.set[eglsSTOPCOND] > 0
) && ( bNS || ir->nstlist == 0)
) )
+ if ( (gs.set[eglsSTOPCOND] < 0) ||
+ ( (gs.set[eglsSTOPCOND] > 0
) && (bNStList || ir->nstlist == 0)
) )
{
bLastStep = TRUE;
}