X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Fread_dist_constr.F;h=5dd61d02a6b3a8c9fa3d7c143f3cdee619285268;hb=e26610dc1d9f408822f8530f2dca7a04fc36c637;hp=3d803bb3e75b2bff8f38568682062da281d1a2df;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git

diff --git a/source/wham/src-M/read_dist_constr.F b/source/wham/src-M/read_dist_constr.F
index 3d803bb..5dd61d0 100644
--- a/source/wham/src-M/read_dist_constr.F
+++ b/source/wham/src-M/read_dist_constr.F
@@ -1,6 +1,7 @@
       subroutine read_dist_constr
       implicit real*8 (a-h,o-z)
       include 'DIMENSIONS'
+      include 'DIMENSIONS.FREE'
 #ifdef MPI
       include 'mpif.h'
 #endif
@@ -13,9 +14,12 @@
       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 +100,30 @@ 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