From: Rossen Apostolov <rossen@kth.se>
Date: Wed, 18 Jun 2014 14:19:03 +0000 (+0200)
Subject: More clear message for undefined pullgroups.
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=d3ce9e70fb2f445eb2c37d66b910e3c2e48af661;p=alexxy%2Fgromacs.git

More clear message for undefined pullgroups.

When a pull group was not defined in the index file,
grompp didn't report in a clear way where the problem was.

Fixes #1446.

Change-Id: If571b46b91f6ad28213808b6e18d96e1da0be79d
---

diff --git a/src/kernel/readpull.c b/src/kernel/readpull.c
index 9e2b9f5fcf..16c0676280 100644
--- a/src/kernel/readpull.c
+++ b/src/kernel/readpull.c
@@ -258,6 +258,10 @@ void make_pull_groups(t_pull *pull, char **pgnames, t_blocka *grps, char **gname
         {
             pgrp->nat = 0;
         }
+        else if (g != 0 && strcmp(pgnames[g], "") == 0)
+        {
+            gmx_fatal(FARGS, "Group pull_group%d required by grompp was undefined.",g);
+        }
         else
         {
             ig        = search_string(pgnames[g], grps->nr, gnames);