Debug 5

diff --git a/source/wham/src-M/energy_p_new.F b/source/wham/src-M/energy_p_new.F
index 1c3b331..bedf32e 100644 (file)
--- a/source/wham/src-M/energy_p_new.F
+++ b/source/wham/src-M/energy_p_new.F
@@ -819,8 +819,8 @@ C
             IF (dyn_ss_mask(i).and.dyn_ss_mask(j)) THEN
               call dyn_ssbond_ene(i,j,evdwij)
               evdw=evdw+evdwij
-            write (iout,'(a6,2i5,0pf7.3,a3,f10.3)')
-     &                        'evdw',i,j,evdwij,' ss',evdw
+            write (iout,'(a6,2i5,0pf7.3,a3,2f10.3)')
+     &                        'evdw',i,j,evdwij,' ss',evdw,evdw_t
 C triple bond artifac removal
              do k=j+1,iend(i,iint)
 C search over all next residues
@@ -831,8 +831,8 @@ C              write(iout,*) 'k=',k
 C call the energy function that removes the artifical triple disulfide
 C bond the soubroutine is located in ssMD.F
               evdw=evdw+evdwij
-             write (iout,'(a6,2i5,0pf7.3,a3,f10.3)')
-     &                        'evdw',i,j,evdwij,'tss',evdw
+             write (iout,'(a6,2i5,0pf7.3,a3,2f10.3)')
+     &                        'evdw',i,j,evdwij,'tss',evdw,evdw_t
               endif!dyn_ss_mask(k)
              enddo! k
             ELSE