From ddce4f732732bf7162e10539c3d94788be664317 Mon Sep 17 00:00:00 2001 From: Adam Sieradzan Date: Mon, 25 May 2015 12:26:13 +0200 Subject: [PATCH] another DEBUG --- source/wham/src-M/energy_p_new.F | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/source/wham/src-M/energy_p_new.F b/source/wham/src-M/energy_p_new.F index 3be7b43..1c3b331 100644 --- a/source/wham/src-M/energy_p_new.F +++ b/source/wham/src-M/energy_p_new.F @@ -819,7 +819,7 @@ 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)') + 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) @@ -831,7 +831,7 @@ 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)') + write (iout,'(a6,2i5,0pf7.3,a3,f10.3)') & 'evdw',i,j,evdwij,'tss',evdw endif!dyn_ss_mask(k) enddo! k -- 1.7.9.5