Adam's changes

[unres.git] / source / cluster / wham / src-M / read_ref_str.F

diff --git a/source/cluster/wham/src-M/read_ref_str.F b/source/cluster/wham/src-M/read_ref_str.F
index ef427ff..ac7b53e 100644 (file)
--- a/source/cluster/wham/src-M/read_ref_str.F
+++ b/source/cluster/wham/src-M/read_ref_str.F
@@ -29,7 +29,7 @@ C
       external ilen
 C
       nres0=nres
-      write (iout,*) "pdbref",pdbref
+c      write (iout,*) "pdbref",pdbref
       if (pdbref) then
         read(inp,'(a)') pdbfile
         write (iout,'(2a,1h.)') 'PDB data will be read from file ',
@@ -58,12 +58,12 @@ C
      &        nsup)) then
               do j=nnt+nsup-1,nnt,-1
                 do k=1,3
-                  cref(k,nres+j+i)=cref(k,nres_pdb+j)
+                  cref_pdb(k,nres+j+i,1)=cref_pdb(k,nres_pdb+j,1)
                 enddo
               enddo
               do j=nnt+nsup-1,nnt,-1
                 do k=1,3
-                  cref(k,j+i)=cref(k,j)
+                  cref_pdb(k,j+i,1)=cref_pdb(k,j,1)
                 enddo
                 phi_ref(j+i)=phi_ref(j)
                 theta_ref(j+i)=theta_ref(j)
@@ -73,7 +73,7 @@ C
 #ifdef DEBUG
               do j=nnt,nct
                 write (iout,'(i5,3f10.5,5x,3f10.5)') 
-     &            j,(cref(k,j),k=1,3),(cref(k,j+nres),k=1,3)
+     &            j,(cref_pdb(k,j,1),k=1,3),(cref_pdb(k,j+nres,1),k=1,3)
               enddo
 #endif
               nstart_seq=nnt+i
@@ -111,19 +111,19 @@ C
         nsup=nct-nnt+1
         do i=1,2*nres
           do j=1,3
-            cref(j,i)=c(j,i)
+            cref_pdb(j,i,1)=c(j,i)
           enddo
         enddo
       endif
       nend_sup=nstart_sup+nsup-1
       do i=1,2*nres
         do j=1,3
-          c(j,i)=cref(j,i)
+          c(j,i)=cref_pdb(j,i,1)
         enddo
       enddo
       do i=1,nres
         do j=1,3
-          dc(j,nres+i)=cref(j,nres+i)-cref(j,i)
+          dc(j,nres+i)=cref_pdb(j,nres+i,1)-cref_pdb(j,i,1)
         enddo
         if (itype(i).ne.10) then
           ddsc = dist(i,nres+i)