Adam's cluster wham update

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

diff --git a/source/cluster/wham/src-HCD/ssMD.F b/source/cluster/wham/src-HCD/ssMD.F
index 9b2908f..a62f7be 100644 (file)
--- a/source/cluster/wham/src-HCD/ssMD.F
+++ b/source/cluster/wham/src-HCD/ssMD.F
@@ -496,8 +496,8 @@ cgrad        enddo
 cgrad      enddo
 
       do l=1,3
-        gvdwc(l,i)=gvdwc(l,i)-gg(l)+gg_lipi(k)
-        gvdwc(l,j)=gvdwc(l,j)+gg(l)+gg_lipj(k)
+        gvdwc(l,i)=gvdwc(l,i)-gg(l)+gg_lipi(l)
+        gvdwc(l,j)=gvdwc(l,j)+gg(l)+gg_lipj(l)
       enddo
 
       return
@@ -571,7 +571,7 @@ c     Local variables
       logical found
       integer i_newnss(1024),displ(0:1024)
       integer g_newihpb(maxdim_cont),g_newjhpb(maxdim_cont),g_newnss
-
+      nfgtasks=1
       allnss=0
       do i=1,ns-1
         do j=i+1,ns