From c7d2c0d4e5849d3a552c949a169e8fb69befdad4 Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Mon, 26 Oct 2015 12:13:10 +0100 Subject: [PATCH] ENERGY_DEC printout works for ebend in E0LL2Y forcefield --- source/unres/src_MD/energy_p_new_barrier.F | 2 ++ 1 file changed, 2 insertions(+) diff --git a/source/unres/src_MD/energy_p_new_barrier.F b/source/unres/src_MD/energy_p_new_barrier.F index 0c6dd2e..61cf2d9 100644 --- a/source/unres/src_MD/energy_p_new_barrier.F +++ b/source/unres/src_MD/energy_p_new_barrier.F @@ -4946,6 +4946,8 @@ C if (i.gt.3) then & 'ebe', i,theta(i)*rad2deg,phii*rad2deg, & phii1*rad2deg,ethetai etheta=etheta+ethetai + if (energy_dec) write (iout,'(a6,i5,0pf7.3)') + & 'ebend',i,ethetai if (i.gt.3) gloc(i-3,icg)=gloc(i-3,icg)+wang*dephii if (i.lt.nres) gloc(i-2,icg)=gloc(i-2,icg)+wang*dephii1 gloc(nphi+i-2,icg)=wang*dethetai -- 1.7.9.5