[gmx-users] multiple pull groups

Douglas Ridgway ridgway at dridgway.com
Mon Nov 1 23:34:41 CET 2004


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?



--- 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],""))
   fprintf(stderr,"Using %d pull groups\n",pull->ngrp);

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