X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-HCD%2Fenergy_p_new.F;h=628651441c5007042099466a57e19acce3be6e9c;hb=4edb7c3bb263adb587d34893f40c4e31296e1279;hp=e969ea3857e377e9c06f2caad7a67a735e2443fd;hpb=43dfdc33f5b338546258b5a882326f97a76b5bd4;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 e969ea3..6286514 100644
--- a/source/cluster/wham/src-HCD/energy_p_new.F
+++ b/source/cluster/wham/src-HCD/energy_p_new.F
@@ -2439,12 +2439,12 @@ 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)/)')