cluster & wham update

[unres.git] / source / wham / src-HCD / readpdb.F

diff --git a/source/wham/src-HCD/readpdb.F b/source/wham/src-HCD/readpdb.F
index 55dcc04..6f4ba5f 100644 (file)
--- a/source/wham/src-HCD/readpdb.F
+++ b/source/wham/src-HCD/readpdb.F
@@ -91,7 +91,7 @@ c          write (2,'(a)') card
 !              write (iout,*) "Calculating sidechain center iii",iii
               if (unres_pdb) then
                 do j=1,3
-                  dc(j,ires+nres)=sccor(j,iii)
+                  dc(j,ires_old)=sccor(j,iii)
                 enddo
               else
                 call sccenter(ires_old,iii,sccor)
@@ -804,8 +804,8 @@ C Calculate internal coordinates.
       endif
 C Calculate internal coordinates.
 c      call int_from_cart1(.false.)
-      call int_from_cart(.true.,.true.)
-      call sc_loc_geom(.true.)
+      call int_from_cart(.true.,out_template_coord)
+      call sc_loc_geom(.false.)
       do i=1,nres
         thetaref(i)=theta(i)
         phiref(i)=phi(i)