X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Fenergy_p_new.F;h=7aa46cb63f9c0a8a53c314c95d4acabe2ba79a9c;hb=e72c149dd2f7744dee9025cb8ce275ae85c6bf64;hp=e4a2a9e53687d7ce6ef211c14fe101e8a72054bb;hpb=655423960ec880f732d106edceb0081d3ebb41fa;p=unres.git

diff --git a/source/wham/src-M/energy_p_new.F b/source/wham/src-M/energy_p_new.F
index e4a2a9e..7aa46cb 100644
--- a/source/wham/src-M/energy_p_new.F
+++ b/source/wham/src-M/energy_p_new.F
@@ -818,7 +818,7 @@ C
           do j=istart(i,iint),iend(i,iint)
             IF (dyn_ss_mask(i).and.dyn_ss_mask(j)) THEN
               call dyn_ssbond_ene(i,j,evdwij)
-              evdw=evdw+evdwij
+              evdw_t=evdw_t+evdwij
             write (iout,'(a6,2i5,0pf7.3,a3)')
      &                        'evdw',i,j,evdwij,' ss'
 C triple bond artifac removal
@@ -830,7 +830,7 @@ C              write(iout,*) 'k=',k
               call triple_ssbond_ene(i,j,k,evdwij)
 C call the energy function that removes the artifical triple disulfide
 C bond the soubroutine is located in ssMD.F
-              evdw=evdw+evdwij
+              evdw_t=evdw_t+evdwij
              write (iout,'(a6,2i5,0pf7.3,a3)')
      &                        'evdw',i,j,evdwij,'tss'
               endif!dyn_ss_mask(k)