X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD-M%2Fenergy_p_new_barrier.F;fp=source%2Funres%2Fsrc_MD-M%2Fenergy_p_new_barrier.F;h=1390fe36bc98507d31822e21de39789098ca03c8;hb=22ea58d3be4c7c625b9c5fb0e9f6d1b2bf7428f6;hp=a20ec7bbfb800a20525e2cfcd44bc169ba5a81c2;hpb=1f0aa575ca64693f9abaeb4f25a781f24f609eb5;p=unres.git diff --git a/source/unres/src_MD-M/energy_p_new_barrier.F b/source/unres/src_MD-M/energy_p_new_barrier.F index a20ec7b..1390fe3 100644 --- a/source/unres/src_MD-M/energy_p_new_barrier.F +++ b/source/unres/src_MD-M/energy_p_new_barrier.F @@ -8223,6 +8223,9 @@ c 3 = SC...Ca...Ca...SCi esccor=esccor+v1ij*cosphi+v2ij*sinphi gloci=gloci+j*(v2ij*cosphi-v1ij*sinphi) enddo + if (energy_dec) write(iout,'(a9,2i4,f8.3,3i4)') "esccor",i,j, + & esccor,intertyp, + & isccori, isccori1 c write (iout,*) "EBACK_SC_COR",i,v1ij*cosphi+v2ij*sinphi,intertyp gloc_sc(intertyp,i-3,icg)=gloc_sc(intertyp,i-3,icg)+wsccor*gloci if (lprn)