From 0941412b97a571e4389e751d57f0714259566599 Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Tue, 19 Mar 2019 14:26:52 +0100 Subject: [PATCH] xdrf2pdb-m-mult bug corrected --- source/xdrfpdb/src-M/xdrf2pdb-m.F | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/source/xdrfpdb/src-M/xdrf2pdb-m.F b/source/xdrfpdb/src-M/xdrf2pdb-m.F index 24be584..d2d7d9c 100644 --- a/source/xdrfpdb/src-M/xdrf2pdb-m.F +++ b/source/xdrfpdb/src-M/xdrf2pdb-m.F @@ -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 -- 1.7.9.5