Updated dlist.c to recognize more atom names.

Previously, g_chi basically only worked correctly for OPLS-AA and
Gromos96 force fields, based on C-terminal atom names.  This commit
adds atom names for AMBER and CHARMM force fields so that g_chi
calculates dihedral properties for all residues.

Change-Id: I48517fb55bd46e7d49941f7902f4f6531e443e62

diff --git a/src/tools/dlist.c b/src/tools/dlist.c
index cc3a84917b5eaa480f24a7947c3534eaf950b93b..6a6936118ff880c070420476822606521f2a6518 100644 (file)
--- a/src/tools/dlist.c
+++ b/src/tools/dlist.c
@@ -96,7 +96,9 @@ t_dlist *mk_dlist(FILE *log,
                 atm.C = i;
             }
             else if ((strcmp(*(atoms->atomname[i]), "O") == 0) ||
-                     (strcmp(*(atoms->atomname[i]), "O1") == 0))
+                     (strcmp(*(atoms->atomname[i]), "O1") == 0) ||
+                     (strcmp(*(atoms->atomname[i]), "OC1") == 0) ||
+                     (strcmp(*(atoms->atomname[i]), "OT1") == 0))
             {
                 atm.O = i;
             }