X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fenergy_p_new_barrier.F;h=f07517bfc980544866f6498d6c9a1181e93a070f;hb=87c21417a317385a49127c6e1a9b4a74541a6c6e;hp=3979f64604cbe95670e5e2f8866df6c3ff067d92;hpb=ba3b4257f01c3857bbae7927ed7815ab7f5419d6;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 3979f64..f07517b 100644 --- a/source/unres/src_MD/energy_p_new_barrier.F +++ b/source/unres/src_MD/energy_p_new_barrier.F @@ -5880,13 +5880,14 @@ c(see comment below) cc Omicron is flat angle depending on the value of first digit c(see comment below) - gloci=0.0D0 - do intertyp=1,1 !intertyp + + do intertyp=1,3 !intertyp cc Added 09 May 2012 (Adasko) cc Intertyp means interaction type of backbone mainchain correlation: c 1 = SC...Ca...Ca...Ca c 2 = Ca...Ca...Ca...SC -c 3 = SC...Ca...Ca...SC +c 3 = SC...Ca...Ca...SCi + gloci=0.0D0 if (((intertyp.eq.3).and.((itype(i-2).eq.10).or. & (itype(i-1).eq.10).or.(itype(i-2).eq.21).or. & (itype(i-1).eq.21)))