+ if (shield_mode.gt.0) then
+ etot=ft(1)*wsc*(evdw+ft(6)*evdw_t)+ft(1)*wscp*evdw2
+ & +ft(1)*welec*ees
+ & +ft(1)*wvdwpp*evdw1
+ & +wang*ebe+ft(1)*wtor*etors+wscloc*escloc
+ & +wstrain*ehpb+nss*ebr+ft(3)*wcorr*ecorr+ft(4)*wcorr5*ecorr5
+ & +ft(5)*wcorr6*ecorr6+ft(3)*wturn4*eello_turn4
+ & +ft(2)*wturn3*eello_turn3
+ & +ft(5)*wturn6*eturn6+ft(2)*wel_loc*eel_loc
+ & +edihcnstr+ft(2)*wtor_d*etors_d+ft(1)*wsccor*esccor
+ & +wbond*estr+wliptran*eliptran
+ eprim=ftprim(1)*(ft(6)*evdw_t+evdw)
+C & +ftprim(6)*evdw_t
+ & +ftprim(1)*wscp*evdw2
+ & +ftprim(1)*welec*ees
+ & +ftprim(1)*wvdwpp*evdw1
+ & +ftprim(1)*wtor*etors+
+ & ftprim(3)*wcorr*ecorr+ftprim(4)*wcorr5*ecorr5+
+ & ftprim(5)*wcorr6*ecorr6+ftprim(3)*wturn4*eello_turn4+
+ & ftprim(2)*wturn3*eello_turn3+ftprim(5)*wturn6*eturn6+
+ & ftprim(2)*wel_loc*eel_loc+ftprim(2)*wtor_d*etors_d+
+ & ftprim(1)*wsccor*esccor
+ ebis=ftbis(1)*wsc*(evdw+ft(6)*evdw_t)
+ & +ftbis(1)*wscp*evdw2+
+ & ftbis(1)*welec*ees
+ & +ftbis(1)*wvdwpp*evdw
+ & +ftbis(1)*wtor*etors+
+ & ftbis(3)*wcorr*ecorr+ftbis(4)*wcorr5*ecorr5+
+ & ftbis(5)*wcorr6*ecorr6+ftbis(3)*wturn4*eello_turn4+
+ & ftbis(2)*wturn3*eello_turn3+ftbis(5)*wturn6*eturn6+
+ & ftbis(2)*wel_loc*eel_loc+ftbis(2)*wtor_d*etors_d+
+ & ftbis(1)*wsccor*esccor
+ else