Merge branch 'devel' into AFM

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

diff --git a/source/wham/src-M/read_dist_constr.F b/source/wham/src-M/read_dist_constr.F
index 3d803bb..27fe63a 100644 (file)
--- a/source/wham/src-M/read_dist_constr.F
+++ b/source/wham/src-M/read_dist_constr.F
@@ -13,9 +13,12 @@
       character*500 controlcard
       logical lprn /.true./
       write (iout,*) "Calling read_dist_constr"
-      write (iout,*) "nres",nres," nstart_sup",nstart_sup," nsup",nsup
+C      write (iout,*) "nres",nres," nstart_sup",nstart_sup," nsup",nsup
+C      call flush(iout)
+      write(iout,*) "TU sie wywalam?"
+      call card_concat(controlcard,.false.)
+      write (iout,*) controlcard
       call flush(iout)
-      call card_concat(controlcard)
       call readi(controlcard,"NFRAG",nfrag_,0)
       call readi(controlcard,"NPAIR",npair_,0)
       call readi(controlcard,"NDIST",ndist_,0)
@@ -96,14 +99,30 @@ c        write (iout,*) i,ifrag_(1,i),ifrag_(2,i),wfrag_(i)
         endif
       enddo 
       do i=1,ndist_
+        if (constr_dist.eq.11) then
+        read (inp,*) ihpb(nhpb+1),jhpb(nhpb+1),dhpb(i),dhpb1(i),
+     &     ibecarb(i),forcon(nhpb+1),fordepth(nhpb+1)
+        fordepth(nhpb+1)=fordepth(nhpb+1)/forcon(nhpb+1)
+C        write (iout,'(a,3i5,f8.2,f10.1)') "+dist.constr ",
+C     &     nhpb,ihpb(nhpb),jhpb(nhpb),dhpb(nhpb),forcon(nhpb)
+        else
         read (inp,*) ihpb(nhpb+1),jhpb(nhpb+1),forcon(nhpb+1)
+        endif
         if (forcon(nhpb+1).gt.0.0d0) then
           nhpb=nhpb+1
-          dhpb(nhpb)=dist(ihpb(nhpb),jhpb(nhpb))
+          if (ibecarb(i).gt.0) then
+            ihpb(i)=ihpb(i)+nres
+            jhpb(i)=jhpb(i)+nres
+          endif
+          if (dhpb(nhpb).eq.0.0d0)
+     &       dhpb(nhpb)=dist(ihpb(nhpb),jhpb(nhpb))
+C          dhpb(nhpb)=dist(ihpb(nhpb),jhpb(nhpb))
           write (iout,'(a,3i5,f8.2,f10.1)') "+dist.constr ",
      &     nhpb,ihpb(nhpb),jhpb(nhpb),dhpb(nhpb),forcon(nhpb)
         endif
+C      endif
       enddo
+      call hpb_partition
       call flush(iout)
       return
       end