X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2Fenergy_p_new.F;h=a71e55bb7805e030e7ea3203aed010fa60bcb2c1;hb=9a26354af2c68a12347d7f85ad158e3ba22fdd7d;hp=18a075cecd1c988d6be4f6c036b14b4e5f2b3ec0;hpb=1102b0fb298602dd1f056bfe4de1d42e350f16f3;p=unres.git

diff --git a/source/cluster/wham/src-M/energy_p_new.F b/source/cluster/wham/src-M/energy_p_new.F
index 18a075c..a71e55b 100644
--- a/source/cluster/wham/src-M/energy_p_new.F
+++ b/source/cluster/wham/src-M/energy_p_new.F
@@ -112,6 +112,11 @@ c         print *,"calling multibody_eello"
          call multibody_eello(ecorr,ecorr5,ecorr6,eturn6,n_corr,n_corr1)
 c         write (*,*) 'n_corr=',n_corr,' n_corr1=',n_corr1
 c         print *,ecorr,ecorr5,ecorr6,eturn6
+      else
+         ecorr=0.0d0
+         ecorr5=0.0d0
+         ecorr6=0.0d0
+         eturn6=0.0d0
       endif
       if (wcorr4.eq.0.0d0 .and. wcorr.gt.0.0d0) then
          call multibody_hb(ecorr,ecorr5,ecorr6,n_corr,n_corr1)
@@ -2206,7 +2211,7 @@ C         endif
         num_conti=0
 c        write (iout,*) 'i',i,' ielstart',ielstart(i),' ielend',ielend(i)
         do j=ielstart(i),ielend(i)
-          if (j.le.1) cycle
+C          if (j.le.1) cycle
 C           if (itype(j).eq.ntyp1 .or. itype(j+1).eq.ntyp1
 C     & .or.itype(j+2).eq.ntyp1
 C     &) cycle