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 9023b513be09b67ca562084de93e299af5c6a9e4..263e4c4775702950f26e351fbe8b51c1977e90ad 100644 (file)
--- 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 d8a4af596836d7bc9593137b4c3303865995c5fd..6a816a59eae9c520dbca179bd64b330e4cd2815e 100644 (file)
--- 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 */