WHAM for Lorentzian like constrains fixed - DEBUG OFF

[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 a97f797..27fe63a 100644 (file)
--- a/source/wham/src-M/read_dist_constr.F
+++ b/source/wham/src-M/read_dist_constr.F
@@ -110,7 +110,13 @@ C     &     nhpb,ihpb(nhpb),jhpb(nhpb),dhpb(nhpb),forcon(nhpb)
         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