X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Fenergy_p_new.F;h=1c3b3312986dbb56e6924197bbed94f5635f01af;hb=ddce4f732732bf7162e10539c3d94788be664317;hp=7aa46cb63f9c0a8a53c314c95d4acabe2ba79a9c;hpb=c80d15f19fdd31adb76347c527165e6e13271a48;p=unres.git

diff --git a/source/wham/src-M/energy_p_new.F b/source/wham/src-M/energy_p_new.F
index 7aa46cb..1c3b331 100644
--- a/source/wham/src-M/energy_p_new.F
+++ b/source/wham/src-M/energy_p_new.F
@@ -818,9 +818,9 @@ 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_t=evdw_t+evdwij
-            write (iout,'(a6,2i5,0pf7.3,a3)')
-     &                        'evdw',i,j,evdwij,' ss'
+              evdw=evdw+evdwij
+            write (iout,'(a6,2i5,0pf7.3,a3,f10.3)')
+     &                        'evdw',i,j,evdwij,' ss',evdw
 C triple bond artifac removal
              do k=j+1,iend(i,iint)
 C search over all next residues
@@ -830,9 +830,9 @@ 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_t=evdw_t+evdwij
-             write (iout,'(a6,2i5,0pf7.3,a3)')
-     &                        'evdw',i,j,evdwij,'tss'
+              evdw=evdw+evdwij
+             write (iout,'(a6,2i5,0pf7.3,a3,f10.3)')
+     &                        'evdw',i,j,evdwij,'tss',evdw
               endif!dyn_ss_mask(k)
              enddo! k
             ELSE