X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fenergy_p_new.F;h=dc42b11bd72a84831a9628af19c7b4822e11bdb7;hb=6afd4863682c2aea9d9b514beab6404c19164a57;hp=13fe796391da004f0100b8566f4fcacb12fc15d9;hpb=0cf49004132972c8d36e2464e6c702c1107f1f5e;p=unres.git diff --git a/source/wham/src/energy_p_new.F b/source/wham/src/energy_p_new.F index 13fe796..dc42b11 100644 --- a/source/wham/src/energy_p_new.F +++ b/source/wham/src/energy_p_new.F @@ -4601,6 +4601,9 @@ 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