From: David van der Spoel <spoel@xray.bmc.uu.se>
Date: Sat, 28 Sep 2013 11:52:47 +0000 (+0200)
Subject: Fixes bug in processing virtual_sitesn in grompp.
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=cd41feabe8eafc90dd9c4e3d4f509ce988fc7949;p=alexxy%2Fgromacs.git

Fixes bug in processing virtual_sitesn in grompp.

Fixes #1343

Change-Id: Ia1d39199a12292ef86d086a6c1bb5f1a0bdb5d35
---

diff --git a/src/gromacs/gmxpreprocess/topio.c b/src/gromacs/gmxpreprocess/topio.c
index 9023b513be..263e4c4775 100644
--- a/src/gromacs/gmxpreprocess/topio.c
+++ b/src/gromacs/gmxpreprocess/topio.c
@@ -918,7 +918,7 @@ static char **read_topol(const char *infile, const char *outfile,
                             break;
 
                         case d_vsitesn:
-                            push_vsitesn(d, plist, &(mi0->atoms), pline, wi);
+                            push_vsitesn(d, mi0->plist, &(mi0->atoms), pline, wi);
                             break;
                         case d_exclusions:
                             assert(block2);
diff --git a/src/gromacs/gmxpreprocess/vsite_parm.h b/src/gromacs/gmxpreprocess/vsite_parm.h
index d8a4af5968..6a816a59ea 100644
--- a/src/gromacs/gmxpreprocess/vsite_parm.h
+++ b/src/gromacs/gmxpreprocess/vsite_parm.h
@@ -42,7 +42,7 @@
 
 extern int set_vsites(gmx_bool bVerbose, t_atoms *atoms,  gpp_atomtype_t atype,
                       t_params plist[]);
-/* set parameters for vritual sites, return number of virtual sites */
+/* set parameters for virtual sites, return number of virtual sites */
 
 extern void set_vsites_ptype(gmx_bool bVerbose,  gmx_moltype_t *molt);
 /* set ptype to VSite for virtual sites */