correct in cluster (working)

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

diff --git a/source/cluster/wham/src-M/initialize_p.F b/source/cluster/wham/src-M/initialize_p.F
index f385f1a..409deb0 100644 (file)
--- a/source/cluster/wham/src-M/initialize_p.F
+++ b/source/cluster/wham/src-M/initialize_p.F
@@ -58,6 +58,7 @@ C
       ibond=28
       isccor=29
       jrms=30
+      iliptran=60
 C
 C Set default weights of the energy terms.
 C
@@ -84,8 +85,10 @@ C
       enddo
       do i=1,ntyp
        do j=1,ntyp
-         aa(i,j)=0.0D0
-         bb(i,j)=0.0D0
+         aa_aq(i,j)=0.0D0
+         bb_aq(i,j)=0.0D0
+          aa_lip(i,j)=0.0D0
+          bb_lip(i,j)=0.0D0
          augm(i,j)=0.0D0
          sigma(i,j)=0.0D0
          r0(i,j)=0.0D0
@@ -376,7 +379,7 @@ cd      write (iout,*) 'i=',i,' scheck=',scheck,' jj=',jj
           nint_gr(i)=1
           istart(i,1)=i+1
           iend(i,1)=nct
-          ind_scint=int_scint+nct-i
+          ind_scint=ind_scint+nct-i
 #endif
         endif
 #ifdef MPL