[gmx-users] multiple pull groups
Douglas Ridgway
ridgway at dridgway.com
Mon Nov 1 23:34:41 CET 2004
Hi,
I think that this has been reported before, but multiple pull groups don't
seem to be recognized in 3.2.1. The patch below seems to fix this.
However, I worry about the fact that not many other people seem to be
using multiple pull groups. Does anyone know of other issues to be
concerned about?
Thanks,
doug.
--- gromacs-3.2.1/src/mdlib/pullio.c Mon Oct 25 11:53:09 2004
+++ gromacs-3.2.1/src/mdlib/pullio.c Mon Oct 25 11:53:33 2004
@@ -298,7 +298,7 @@
if (!strcmp(grpbuf[0],""))
fatal_error(0,"Need to specify at least group_1.");
pull->ngrp = 1;
- while (i<MAX_PULL_GROUPS && strcmp(grpbuf[pull->ngrp],""))
+ while (pull->ngrp<MAX_PULL_GROUPS && strcmp(grpbuf[pull->ngrp],""))
pull->ngrp++;
fprintf(stderr,"Using %d pull groups\n",pull->ngrp);
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