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[unres4.git] / source / unres / io.F90

diff --git a/source/unres/io.F90 b/source/unres/io.F90
index 4750e57..a147b46 100644 (file)
--- a/source/unres/io.F90
+++ b/source/unres/io.F90
@@ -278,7 +278,7 @@
        enddo
       enddo
 
-      call contact(.true.,ncont_ref,icont_ref,co)
+      call contact(.false.,ncont_ref,icont_ref,co)
 
 !      do k=1,nres
 !       write(icsa_native_int,200) (crefjlee(i,k),i=1,3)
@@ -1464,7 +1464,7 @@
               cref(j,i,kkk)=c(j,i)
             enddo
           enddo
-          call contact(.true.,ncont_ref,icont_ref,co)
+          call contact(.false.,ncont_ref,icont_ref,co)
         endif
 !        write (iout,*) "constr_dist",constr_dist,nstart_sup,nsup
 !        call flush(iout)
@@ -1477,6 +1477,7 @@
         if (pdbref) then
         if(me.eq.king.or..not.out1file) &
          write (2,*) 'Shifting contacts:',nstart_seq,nstart_sup
+         if (.false.) then
         do i=1,ncont_ref
           do j=1,2
             icont_ref(j,i)=icont_ref(j,i)+nstart_seq-nstart_sup
@@ -1487,6 +1488,7 @@
            restyp(itype(icont_ref(2,i),1),1),' ',icont_ref(2,i)
         enddo
         endif
+        endif
       if (constr_homology.gt.0) then
 !        write (iout,*) "Calling read_constr_homology"
 !        call flush(iout)
@@ -2768,7 +2770,7 @@
 !c     &     itype(chain_border(1,i)+k).eq.itype(chain_border(1,j)+k))
           do k=0,chain_length(i)-1
 !c            k=k+1
-            mnum=molnum(k)
+            mnum=molnum(k+1)
             if (itype(chain_border(1,i)+k,mnum).ne.&
                itype(chain_border(1,j)+k,mnum)) exit
           enddo
@@ -2839,7 +2841,7 @@
         write(iout,'(20i4)') (tabpermchain(j,i),j=1,nchain)
       enddo
       return
-      end
+      end subroutine
 !c---------------------------------------------------------------------
       integer function tperm(i,iperm,tabpermchain)
 !      implicit none