From bda982c0a4335703f4b46cdfa25a7021ceb6dbdf Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Mon, 26 Oct 2015 12:45:46 +0100 Subject: [PATCH] ENERGY_DEC printout works for ebend in E0LL2Y forcefield --- source/unres/src_MD-M/energy_p_new_barrier.F | 2 ++ source/unres/src_MD/energy_p_new_barrier.F | 2 ++ 2 files changed, 4 insertions(+) diff --git a/source/unres/src_MD-M/energy_p_new_barrier.F b/source/unres/src_MD-M/energy_p_new_barrier.F index 34de14e..91353c1 100644 --- a/source/unres/src_MD-M/energy_p_new_barrier.F +++ b/source/unres/src_MD-M/energy_p_new_barrier.F @@ -5822,6 +5822,8 @@ c lprn1=.true. & phii1*rad2deg,ethetai c lprn1=.false. 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+gloc(nphi+i-2,icg) diff --git a/source/unres/src_MD/energy_p_new_barrier.F b/source/unres/src_MD/energy_p_new_barrier.F index e594976..8943347 100644 --- a/source/unres/src_MD/energy_p_new_barrier.F +++ b/source/unres/src_MD/energy_p_new_barrier.F @@ -5041,6 +5041,8 @@ c lprn1=.true. & phii1*rad2deg,ethetai c lprn1=.false. 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)=gloc(nphi+i-2,icg)+wang*dethetai -- 1.7.9.5