read_cart correction
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Fri, 22 Jun 2018 15:56:04 +0000 (17:56 +0200)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Fri, 22 Jun 2018 15:56:04 +0000 (17:56 +0200)
source/unres/src_MD/readrtns.F

index 38f8e89..fc49c33 100644 (file)
@@ -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)