From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Fri, 22 Jun 2018 15:56:04 +0000 (+0200)
Subject: read_cart correction
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=722c3b20bfdfe5a94e669a86058d6e5e6c17e35c

read_cart correction
---

diff --git a/source/unres/src_MD/readrtns.F b/source/unres/src_MD/readrtns.F
index 38f8e89..fc49c33 100644
--- a/source/unres/src_MD/readrtns.F
+++ b/source/unres/src_MD/readrtns.F
@@ -1266,8 +1266,8 @@ C initial geometry.
           if(me.eq.king.or..not.out1file .and.fg_rank.eq.0)
      &     write (iout,'(a)') 'Initial geometry will be read in.'
           if (read_cart) then
-            read (inp,*) time,potE,uconst,t_bath,
-     &       nss,(ihpb(j),jhpb(j),j=1,nss), nn, (qfrag(i),i=1,nn)
+c            read (inp,*) time,potE,uconst,t_bath,
+c     &       nss,(ihpb(j),jhpb(j),j=1,nss), nn, (qfrag(i),i=1,nn)
             read(inp,'(8f10.5)',end=36,err=36)
      &       ((c(l,k),l=1,3),k=1,nres),
      &       ((c(l,k+nres),l=1,3),k=nnt,nct)