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fixed incorrect print in fatal error on charge group size
author
Berk Hess
<hess@csbl10.(none)>
Tue, 2 Nov 2010 17:29:26 +0000
(18:29 +0100)
committer
Berk Hess
<hess@csbl10.(none)>
Tue, 2 Nov 2010 17:29:26 +0000
(18:29 +0100)
src/kernel/grompp.c
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diff --git
a/src/kernel/grompp.c
b/src/kernel/grompp.c
index bdcb5e0684ba9b4ead4fee244b34dee25ef7821b..279a05d82a3e2259a1bfd0fe7ce93f619ad3e18c 100644
(file)
--- a/
src/kernel/grompp.c
+++ b/
src/kernel/grompp.c
@@
-172,7
+172,7
@@
static void check_cg_sizes(const char *topfn,t_block *cgs,warninp_t wi)
if (maxsize > MAX_CHARGEGROUP_SIZE)
{
- gmx_fatal(FARGS,"The largest charge group contains %d atoms. The maximum is
32."
,MAX_CHARGEGROUP_SIZE);
+ gmx_fatal(FARGS,"The largest charge group contains %d atoms. The maximum is
%d.",maxsize
,MAX_CHARGEGROUP_SIZE);
}
else if (maxsize > 10)
{