Added a note about using direction-periodic pulling.
authorRossen Apostolov <rossen@kth.se>
Tue, 6 May 2014 13:28:58 +0000 (15:28 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Tue, 20 May 2014 08:33:48 +0000 (10:33 +0200)
Refs #1352.

Change-Id: I867fe1372082063bb221880e8021089f9ded14e7

src/mdlib/pull.c

index e7f260e379dd071a10fb909bf6f66946dcd029fe..a06f7440aa6baf65bb1a8bbe9182f80f969a42e1 100644 (file)
@@ -328,7 +328,8 @@ static void get_pullgrps_dr(const t_pull *pull, const t_pbc *pbc, int g, double
     }
     if (max_dist2 >= 0 && dr2 > 0.98*0.98*max_dist2)
     {
-        gmx_fatal(FARGS, "Distance of pull group %d (%f nm) is larger than 0.49 times the box size (%f)", g, sqrt(dr2), sqrt(max_dist2));
+        gmx_fatal(FARGS, "Distance of pull group %d (%f nm) is larger than 0.49 times the box size (%f).\nYou might want to consider using \"pull-geometry = direction-periodic\" instead.\n", g, sqrt(dr2), sqrt(max_dist2));
+
     }
 
     if (pull->eGeom == epullgDIRPBC)