call set_shield_fac2
endif
call eelec(ees,evdw1,eel_loc,eello_turn3,eello_turn4)
-C write(iout,*) 'po eelec'
+c write(iout,*) 'po eelec eello_turn4',eello_turn4
C Calculate excluded-volume interaction energy between peptide groups
C and side chains.
call eelecij(i,i+3,ees,evdw1,eel_loc)
if (wturn4.gt.0.0d0 .and. itype(i+2).ne.ntyp1)
& call eturn4(i,eello_turn4)
+c write (iout,*) "i",i," eello_turn4",eello_turn4
#ifdef FOURBODY
num_cont_hb(i)=num_conti
#endif
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)/)')
common /locel/ a_temp,agg,aggi,aggi1,aggj,aggj1,a22,a23,a32,a33,
& dxi,dyi,dzi,dx_normi,dy_normi,dz_normi,xmedi,ymedi,zmedi,
& num_conti,j1,j2
+ double precision sslipi,sslipj,ssgradlipi,ssgradlipj,faclipij
+ common /lipcalc/ sslipi,sslipj,ssgradlipi,ssgradlipj,faclipij
j=i+3
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
C