fixed incorrect print in fatal error on charge group size
authorBerk Hess <hess@csbl10.(none)>
Tue, 2 Nov 2010 17:29:26 +0000 (18:29 +0100)
committerBerk Hess <hess@csbl10.(none)>
Tue, 2 Nov 2010 17:29:26 +0000 (18:29 +0100)
src/kernel/grompp.c

index bdcb5e0684ba9b4ead4fee244b34dee25ef7821b..279a05d82a3e2259a1bfd0fe7ce93f619ad3e18c 100644 (file)
@@ -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)
     {