X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-HCD%2Fenergy_p_new.F;h=db2e0438672a83312cffcdfd641d17da29c3de8a;hb=3d04f1babd4ae90f9a0b8f256a2ce0a2c5751f33;hp=119bad6fe1c7f0036202fc7da276f0a8a070c8fa;hpb=8c073a2ffd0a50442e7fdf20780a0dd94ed74799;p=unres.git diff --git a/source/cluster/wham/src-HCD/energy_p_new.F b/source/cluster/wham/src-HCD/energy_p_new.F index 119bad6..db2e043 100644 --- a/source/cluster/wham/src-HCD/energy_p_new.F +++ b/source/cluster/wham/src-HCD/energy_p_new.F @@ -2899,7 +2899,7 @@ C fac_shield(i)=0.4 C fac_shield(j)=0.6 endif eel_loc_ij=eel_loc_ij - & *fac_shield(i)*fac_shield(j) + & *fac_shield(i)*fac_shield(j)*sss if (energy_dec) write (iout,'(a6,2i5,0pf7.3)') & 'eelloc',i,j,eel_loc_ij c if (eel_loc_ij.ne.0)