X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-HCD-5D%2FssMD.F;fp=source%2Fcluster%2Fwham%2Fsrc-HCD-5D%2FssMD.F;h=a62f7bed9e5383c32e8fc934d716e9b63b3c4c3d;hb=6260e60062f93c75d71ad18219a28f1ab5611dec;hp=9b2908fe24bb3252e9e934267ad378b2f3ef5db8;hpb=7baaf36efbc265e029ec93a4bb1adfadfd55d7bf;p=unres.git

diff --git a/source/cluster/wham/src-HCD-5D/ssMD.F b/source/cluster/wham/src-HCD-5D/ssMD.F
index 9b2908f..a62f7be 100644
--- a/source/cluster/wham/src-HCD-5D/ssMD.F
+++ b/source/cluster/wham/src-HCD-5D/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