X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fenergy_p_new_barrier.F;h=3257273a266c0a7d6d447e8bfd7de8be033dac04;hb=0da141621f008888c86b52ff8e29f9873cff6dd3;hp=daf4d6fd13c32b64a47660f70491195454d7b5cf;hpb=cb73d7775b6c727943afdfbde7605af4f295a9c8;p=unres.git diff --git a/source/unres/src_MD/energy_p_new_barrier.F b/source/unres/src_MD/energy_p_new_barrier.F index daf4d6f..3257273 100644 --- a/source/unres/src_MD/energy_p_new_barrier.F +++ b/source/unres/src_MD/energy_p_new_barrier.F @@ -5899,7 +5899,7 @@ c 3 = SC...Ca...Ca...SC esccor=esccor+v1ij*cosphi+v2ij*sinphi gloci=gloci+j*(v2ij*cosphi-v1ij*sinphi) enddo - gloc_sc(intertyp,i-3,icg)=gloc_sc(intertyp,i-3,icg)+wtor*gloci + gloc_sc(intertyp,i-3,icg)=gloc_sc(intertyp,i-3,icg)+wsccor*gloci if (lprn) & write (iout,'(2(a3,2x,i3,2x),2i3,6f8.3/26x,6f8.3/)') & restyp(itype(i-2)),i-2,restyp(itype(i-1)),i-1,itori,itori1,