Adam's corrections

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

diff --git a/source/wham/src-HCD/read_constr_homology.F b/source/wham/src-HCD/read_constr_homology.F
index ab9901d..0af2bdb 100644 (file)
--- a/source/wham/src-HCD/read_constr_homology.F
+++ b/source/wham/src-HCD/read_constr_homology.F
@@ -145,8 +145,10 @@ c
         unres_pdb=.false.
         if (read2sigma) then
           call readpdb_template(k)
+          close(ipdbin)
         else
           call readpdb
+          close(ipdbin)
         endif
 
 c        call readpdb
@@ -552,14 +554,18 @@ c     Distance restraints
 c
 c          ... --> odl(k,ii)
 C Copy the coordinates from reference coordinates (?)
+c        write (iout,*) "k",k
         do i=1,2*nres
           do j=1,3
             c(j,i)=chomo(j,i,k)
-c           write (iout,*) "c(",j,i,") =",c(j,i)
+c            write (iout,*) "c(",j,i,") =",c(j,i)
           enddo
         enddo
+c        call cartprint
+c        write (iout,*) "read_klapaucjusz: calling int_from_cart"
         call int_from_cart(.true.,.false.)
         call sc_loc_geom(.false.)
+c        write (iout,*) "en" 
         do i=1,nres
           thetaref(i)=theta(i)
           phiref(i)=phi(i)