X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-HCD%2Fenergy_p_new.F;h=6e1c4914d91b6bb06b2c45533c5351386b131275;hb=e9e7a2a71c54224a033e1fa3f9a60848b688eadb;hp=3a83918ae95d0816526f3b427e2b4009afbd7bce;hpb=68aa1d135805a14583695611acfcf637748b4466;p=unres.git

diff --git a/source/wham/src-HCD/energy_p_new.F b/source/wham/src-HCD/energy_p_new.F
index 3a83918..6e1c491 100644
--- a/source/wham/src-HCD/energy_p_new.F
+++ b/source/wham/src-HCD/energy_p_new.F
@@ -2459,12 +2459,12 @@ C          fac_shield(j)=0.6
           el1=el1*fac_shield(i)**2*fac_shield(j)**2
           el2=el2*fac_shield(i)**2*fac_shield(j)**2
           eesij=(el1+el2)
-          ees=ees+eesij*faclipij2
+          ees=ees+eesij*sss*faclipij2
           else
           fac_shield(i)=1.0
           fac_shield(j)=1.0
           eesij=(el1+el2)
-          ees=ees+eesij*faclipij2
+          ees=ees+eesij*sss*faclipij2
           endif
           evdw1=evdw1+evdwij*sss*faclipij2
 cd          write(iout,'(2(2i3,2x),7(1pd12.4)/2(3(1pd12.4),5x)/)')