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
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)