Merge release-4-5-patches into release-4-6

[alexxy/gromacs.git] / src / kernel / pdb2gmx.c

diff --git a/src/kernel/pdb2gmx.c b/src/kernel/pdb2gmx.c
index 7e36a17f480db956ab50867abcdef050dc251518..53a3f402bfdcc609f1618b1183040a899f1a1e74 100644 (file)
--- a/src/kernel/pdb2gmx.c
+++ b/src/kernel/pdb2gmx.c
@@ -177,19 +177,6 @@ static const char *get_argtp(int resnr,int nrr,const rtprename_t *rr)
   return select_res(eargNR,resnr,lh,expl,"ARGININE",nrr,rr);
 }
 
-static const char *get_cystp(int resnr,int nrr,const rtprename_t *rr)
-{
-  enum { ecys, ecysH, ecysNR };
-  const char *lh[ecysNR] = { "CYS2", "CYS" };
-  const char *expl[ecysNR] = {
-    "Cysteine in disulfide bridge",
-    "Protonated"
-  };
-
-  return select_res(ecysNR,resnr,lh,expl,"CYSTEINE",nrr,rr);
-
-}
-
 static const char *get_histp(int resnr,int nrr,const rtprename_t *rr)
 {
   const char *expl[ehisNR] = {
@@ -1355,7 +1342,7 @@ int main(int argc, char *argv[])
   for(i=0; i<nrrn; i++) {
     fp = fflib_open(rrn[i]);
     read_rtprename(rrn[i],fp,&nrtprename,&rtprename);
-    fclose(fp);
+    ffclose(fp);
     sfree(rrn[i]);
   }
   sfree(rrn);