From: Dawid Jagiela Date: Wed, 5 Nov 2014 22:53:39 +0000 (+0100) Subject: fixed marge problem X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=commitdiff_plain;h=e0dff896ca4cb91bb01e6212814dd2b8bcf78b44;hp=0574a4aadafa8a9357deb13d698ac66931fc06ff;p=unres.git fixed marge problem --- 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 0ba8f26..5f00861 100644 --- a/source/unres/src_MD-M/energy_p_new_barrier.F +++ b/source/unres/src_MD-M/energy_p_new_barrier.F @@ -4081,13 +4081,8 @@ cmc if (ii.gt.nres .and. itype(iii).eq.1 .and. itype(jjj).eq.1) then C 18/07/06 MC: Use the convention that the first nss pairs are SS bonds if (.not.dyn_ss .and. i.le.nss) then C 15/02/13 CC dynamic SSbond - additional check -<<<<<<< HEAD if (ii.gt.nres .and. iabs(itype(iii)).eq.1 .and. & iabs(itype(jjj)).eq.1) then -======= - if (ii.gt.nres - & .and. itype(iii).eq.1 .and. itype(jjj).eq.1) then ->>>>>>> prerelease-3.2.1 call ssbond_ene(iii,jjj,eij) ehpb=ehpb+2*eij endif