READ_HOMOL_FRAG src-M correction
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Sat, 14 Jul 2018 18:22:03 +0000 (20:22 +0200)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Sat, 14 Jul 2018 18:22:03 +0000 (20:22 +0200)
source/cluster/wham/src-M/readrtns.F
source/wham/src-M/molread_zs.F

index 92feaf7..7635d58 100644 (file)
@@ -1685,7 +1685,7 @@ c Read pdb files
         stop
   34    continue
         unres_pdb=.false.
-        call readpdb
+        call readpdb_template(k)
         do i=1,2*nres
           do j=1,3
             chomo(j,i,k)=c(j,i)
@@ -1730,6 +1730,7 @@ C Copy the coordinates from reference coordinates (?)
 c           write (iout,*) "c(",j,i,") =",c(j,i)
           enddo
         enddo
+        call int_from_cart1(.false.)
         call int_from_cart(.true.,.false.)
         call sc_loc_geom(.false.)
         do i=1,nres
index a6e0532..eeb7655 100644 (file)
@@ -900,7 +900,7 @@ c Read pdb files
         stop
   34    continue
         unres_pdb=.false.
-        call readpdb
+        call readpdb_template(k)
         do i=1,2*nres
           do j=1,3
             chomo(j,i,k)=c(j,i)
@@ -945,6 +945,7 @@ C Copy the coordinates from reference coordinates (?)
 c           write (iout,*) "c(",j,i,") =",c(j,i)
           enddo
         enddo
+        call int_from_cart1(.false.)
         call int_from_cart(.true.,.false.)
         call sc_loc_geom(.false.)
         do i=1,nres