From 4963e9c194befc441ce64235db56bc840efca9ea Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Tue, 20 Oct 2015 19:13:26 +0200 Subject: [PATCH] Adasko's changes to ebend --- source/unres/src_MD-M/energy_p_new_barrier.F | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) 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 1da3cff..34de14e 100644 --- a/source/unres/src_MD-M/energy_p_new_barrier.F +++ b/source/unres/src_MD-M/energy_p_new_barrier.F @@ -5654,9 +5654,10 @@ C logical lprn /.false./, lprn1 /.false./ etheta=0.0D0 do i=ithet_start,ithet_end + if (i.eq.2) cycle c print *,i,itype(i-1),itype(i),itype(i-2) - if ((itype(i-1).eq.ntyp1).or.itype(i-2).eq.ntyp1 - & .or.itype(i).eq.ntyp1) cycle + if ((itype(i-1).eq.ntyp1).or.(itype(i-2).eq.ntyp1) + & .or.(itype(i).eq.ntyp1)) cycle C In current verion the ALL DUMMY ATOM POTENTIALS ARE OFF if (iabs(itype(i+1)).eq.20) iblock=2 -- 1.7.9.5