X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2Fenergy_p_new.F;h=af1476167eb2a8b5fa086b70879f12c5ff5f6ff1;hb=f6e7283541a82e09daf04fb17d934d39f841886c;hp=636f9830c176dd5bd671053d242d3f70f7aeedf1;hpb=db549f57ffcb6ea5f69434155a091e334a711065;p=unres.git diff --git a/source/cluster/wham/src/energy_p_new.F b/source/cluster/wham/src/energy_p_new.F index 636f983..af14761 100644 --- a/source/cluster/wham/src/energy_p_new.F +++ b/source/cluster/wham/src/energy_p_new.F @@ -4509,6 +4509,9 @@ c 3 = SC...Ca...Ca...SCi cosphi=dcos(j*tauangle(intertyp,i)) sinphi=dsin(j*tauangle(intertyp,i)) esccor=esccor+v1ij*cosphi+v2ij*sinphi +#ifdef DEBUG + esccor_ii=esccor_ii+v1ij*cosphi+v2ij*sinphi +#endif gloci=gloci+j*(v2ij*cosphi-v1ij*sinphi) enddo gloc_sc(intertyp,i-3,icg)=gloc_sc(intertyp,i-3,icg)+wsccor*gloci