include 'COMMON.VAR'
include 'COMMON.MD'
include 'COMMON.SCCOR'
+ include 'COMMON.SHIELD'
C
C Initialize Cartesian-coordinate gradient
C
gvdwc_scp(j,i)=0.0D0
gvdwc_scpp(j,i)=0.0d0
gelc (j,i)=0.0D0
+ gshieldx(j,i)=0.0d0
+ gshieldc(j,i)=0.0d0
+ gshieldc_loc(j,i)=0.0d0
gelc_long(j,i)=0.0D0
gradb(j,i)=0.0d0
gradbx(j,i)=0.0d0
C grad_shield_side is Cbeta sidechain gradient
do kk=1,maxshieldlist
grad_shield_side(j,kk,i)=0.0d0
+ grad_shield_loc(j,kk,i)=0.0d0
+
C grad_shield_side_ca is Calfa sidechain gradient
- grad_shield_side_ca(j,kk,i)=0.0d0
+
+
+C grad_shield_side_ca(j,kk,i)=0.0d0
enddo
do intertyp=1,3
gloc_sc(intertyp,i,icg)=0.0d0