+
+ if ((fac_shield(i).gt.0).and.(fac_shield(j).gt.0).and.
+ & (shield_mode.gt.0)) then
+C print *,i,j
+
+ do ilist=1,ishield_list(i)
+ iresshield=shield_list(ilist,i)
+ do k=1,3
+ rlocshield=grad_shield_side(k,ilist,i)*eel_loc_ij
+ & /fac_shield(i)
+C & *2.0
+ gshieldx_ll(k,iresshield)=gshieldx_ll(k,iresshield)+
+ & rlocshield
+ & +grad_shield_loc(k,ilist,i)*eel_loc_ij/fac_shield(i)
+ gshieldc_ll(k,iresshield-1)=gshieldc_ll(k,iresshield-1)
+ & +rlocshield
+ enddo
+ enddo
+ do ilist=1,ishield_list(j)
+ iresshield=shield_list(ilist,j)
+ do k=1,3
+ rlocshield=grad_shield_side(k,ilist,j)*eel_loc_ij
+ & /fac_shield(j)
+C & *2.0
+ gshieldx_ll(k,iresshield)=gshieldx_ll(k,iresshield)+
+ & rlocshield
+ & +grad_shield_loc(k,ilist,j)*eel_loc_ij/fac_shield(j)
+ gshieldc_ll(k,iresshield-1)=gshieldc_ll(k,iresshield-1)
+ & +rlocshield
+
+ enddo
+ enddo
+
+ do k=1,3
+ gshieldc_ll(k,i)=gshieldc_ll(k,i)+
+ & grad_shield(k,i)*eel_loc_ij/fac_shield(i)
+ gshieldc_ll(k,j)=gshieldc_ll(k,j)+
+ & grad_shield(k,j)*eel_loc_ij/fac_shield(j)
+ gshieldc_ll(k,i-1)=gshieldc_ll(k,i-1)+
+ & grad_shield(k,i)*eel_loc_ij/fac_shield(i)
+ gshieldc_ll(k,j-1)=gshieldc_ll(k,j-1)+
+ & grad_shield(k,j)*eel_loc_ij/fac_shield(j)
+ enddo
+ endif
+
+#ifdef NEWCORR
+ geel_loc_ij=(a22*gmuij1(1)
+ & +a23*gmuij1(2)
+ & +a32*gmuij1(3)
+ & +a33*gmuij1(4))
+ & *fac_shield(i)*fac_shield(j)
+c write(iout,*) "derivative over thatai"
+c write(iout,*) a22*gmuij1(1), a23*gmuij1(2) ,a32*gmuij1(3),
+c & a33*gmuij1(4)
+ gloc(nphi+i,icg)=gloc(nphi+i,icg)+
+ & geel_loc_ij*wel_loc
+c write(iout,*) "derivative over thatai-1"
+c write(iout,*) a22*gmuij2(1), a23*gmuij2(2) ,a32*gmuij2(3),
+c & a33*gmuij2(4)
+ geel_loc_ij=
+ & a22*gmuij2(1)
+ & +a23*gmuij2(2)
+ & +a32*gmuij2(3)
+ & +a33*gmuij2(4)
+ gloc(nphi+i-1,icg)=gloc(nphi+i-1,icg)+
+ & geel_loc_ij*wel_loc
+ & *fac_shield(i)*fac_shield(j)
+
+c Derivative over j residue
+ geel_loc_ji=a22*gmuji1(1)
+ & +a23*gmuji1(2)
+ & +a32*gmuji1(3)
+ & +a33*gmuji1(4)
+c write(iout,*) "derivative over thataj"
+c write(iout,*) a22*gmuji1(1), a23*gmuji1(2) ,a32*gmuji1(3),
+c & a33*gmuji1(4)
+
+ gloc(nphi+j,icg)=gloc(nphi+j,icg)+
+ & geel_loc_ji*wel_loc
+ & *fac_shield(i)*fac_shield(j)
+
+ geel_loc_ji=
+ & +a22*gmuji2(1)
+ & +a23*gmuji2(2)
+ & +a32*gmuji2(3)
+ & +a33*gmuji2(4)
+c write(iout,*) "derivative over thataj-1"
+c write(iout,*) a22*gmuji2(1), a23*gmuji2(2) ,a32*gmuji2(3),
+c & a33*gmuji2(4)
+ gloc(nphi+j-1,icg)=gloc(nphi+j-1,icg)+
+ & geel_loc_ji*wel_loc
+ & *fac_shield(i)*fac_shield(j)
+#endif
+cC Partial derivatives in virtual-bond dihedral angles gamma