X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Fwham%2Fsrc%2Fenergy_p_new.F;h=81abea5f9374e5fbac1734bc0a13d3d68b8288c5;hb=7e6e06667b2bab90b607bd8adecfbba5da26b0c9;hp=8a1f9c794119632ac131f6d674d4d705bd8ed498;hpb=7aeb9d4b219d6027512a9a9e0bf7f56636211974;p=unres.git diff --git a/source/wham/src/energy_p_new.F b/source/wham/src/energy_p_new.F index 8a1f9c7..81abea5 100644 --- a/source/wham/src/energy_p_new.F +++ b/source/wham/src/energy_p_new.F @@ -5261,11 +5261,9 @@ c 3 = SC...Ca...Ca...SCi cosphi=dcos(j*tauangle(intertyp,i)) sinphi=dsin(j*tauangle(intertyp,i)) esccor=esccor+v1ij*cosphi+v2ij*sinphi -#define DEBUG #ifdef DEBUG esccor_ii=esccor_ii+v1ij*cosphi+v2ij*sinphi #endif -#undef DEBUG gloci=gloci+j*(v2ij*cosphi-v1ij*sinphi) enddo gloc_sc(intertyp,i-3,icg)=gloc_sc(intertyp,i-3,icg)+wsccor*gloci