xdrf2pdb-m-mult bug corrected
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Tue, 19 Mar 2019 13:26:52 +0000 (14:26 +0100)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Tue, 19 Mar 2019 13:26:52 +0000 (14:26 +0100)
source/xdrfpdb/src-M/xdrf2pdb-m.F

index 24be584..d2d7d9c 100644 (file)
@@ -85,9 +85,9 @@
 c      print *,"ifreq",ifreq," ntraj",ntraj," itraj",itraj
       open(9,file=pdbfile)
       nnt = 1
-      if (itype(1).eq.21) nnt = 2
+      if (itype(1).eq.ntyp1) nnt = 2
       nct=nres
-      if (itype(nres).eq.21) nct = nres-1
+      if (itype(nres).eq.ntyp1) nct = nres-1
       print *,"nnt",nnt," nct",nct
       call xdrfopen(ixdrf,arg, "r", iret)
       kk = 0