double precision fT(6),fTprim(6),fTbis(6),quot,quotl1,quotl,kfacl,
& eprim,ebis,temper,kfac/2.4d0/,T0/300.0d0/
double precision etot,evdw,evdw_t,evdw2,ees,evdw1,ebe,etors,
- & escloc,eliptran,
+ & escloc,eliptran,etube,
& ehpb,ecorr,ecorr5,ecorr6,eello_turn4,eello_turn3,
& eturn6,eel_loc,edihcnstr,etors_d,estr,evdw2_14,esccor,tt
integer i,ii,ik,iproc,iscor,j,k,l,ib,iparm,iprot,nlist
esccor=enetb(19,i,iparm)
edihcnstr=enetb(20,i,iparm)
eliptran=enetb(22,i,iparm)
+ etube=enetb(25,i,iparm)
+
#ifdef SPLITELE
if (shield_mode.gt.0) then
etot=ft(1)*wsc*(evdw+ft(6)*evdw_t)+ft(1)*wscp*evdw2
& +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
+ & +wbond*estr+wliptran*eliptran+wtube*etube
else
etot=wsc*(evdw+ft(6)*evdw_t)+wscp*evdw2+ft(1)*welec*ees
& +wvdwpp*evdw1
& +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
+ & +wbond*estr+wliptran*eliptran+wtube*etube
endif
#else
if (shield_mode.gt.0) then
& +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
+ & +wbond*estr+wliptran*eliptran+wtube*etube
else
etot=wsc*(evdw+ft(6)*evdw_t)+wscp*evdw2
& +ft(1)*welec*(ees+evdw1)
& +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
+ & +wbond*estr+wliptran*eliptran+wtube*etube
endif
#endif