X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fenergy_p_new.F;h=dc42b11bd72a84831a9628af19c7b4822e11bdb7;hb=94b0e723bdb0f8ecbcf6ae149e13db8b75686fb9;hp=2dc4aa73f8385a84c46c11f0fda4880445cd9170;hpb=d5d23fd0abb6c6a3f4ea6b09b89ffbbfe5713236;p=unres.git diff --git a/source/wham/src/energy_p_new.F b/source/wham/src/energy_p_new.F index 2dc4aa7..dc42b11 100644 --- a/source/wham/src/energy_p_new.F +++ b/source/wham/src/energy_p_new.F @@ -4601,12 +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 -<<<<<<< HEAD -======= #ifdef DEBUG esccor_ii=esccor_ii+v1ij*cosphi+v2ij*sinphi #endif ->>>>>>> 3d6f9e7... Adam's changes to wham and cluster following previous commit gloci=gloci+j*(v2ij*cosphi-v1ij*sinphi) enddo gloc_sc(intertyp,i-3,icg)=gloc_sc(intertyp,i-3,icg)+wsccor*gloci