+C now the gradient...
+C grad_shield is gradient of Calfa for peptide groups
+ do j=1,3
+ grad_shield(j,i)=grad_shield(j,i)
+C gradient po skalowaniu
+ & +sh_frac_dist_grad(j)*VofOverlap
+C gradient po costhet
+ &+scale_fac_dist*costhet_grad(j)
+C grad_shield_side is Cbeta sidechain gradient
+ grad_shield_side(j,ishield_list(i),i)=
+ & sh_frac_dist_grad(j)*VofOverlap*2.0d0
+ & +scale_fac_dist*costhet_grad(j)*2.0d0
+C grad_shield_side_ca is Calfa sidechain gradient
+ grad_shield_side_ca(j,ishield_list(i),i)=
+ enddo