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corrected volume with serial NPT replica exchange
[alexxy/gromacs.git]
/
src
/
kernel
/
repl_ex.c
diff --git
a/src/kernel/repl_ex.c
b/src/kernel/repl_ex.c
index 60cd71848a783e2395493ef9bd3b75d3fdfd9a95..3bbb3f94ef4b0304e48cc62c7960ac130487625a 100644
(file)
--- a/
src/kernel/repl_ex.c
+++ b/
src/kernel/repl_ex.c
@@
-1343,6
+1343,10
@@
gmx_bool replica_exchange(FILE *fplog, const t_commrec *cr, struct gmx_repl_ex *
pd_collect_state(cr, state);
}
}
+ else
+ {
+ copy_state_nonatomdata(state_local, state);
+ }
if (MASTER(cr))
{