include 'COMMON.CHAIN'
include 'COMMON.VAR'
include 'COMMON.LOCAL'
+ include 'COMMON.CONTROL'
c write(iout,'(a,i2)')'Calling etotal_short ipot=',ipot
c call flush(iout)
C Calculate electrostatic (H-bonding) energy of the main chain.
C
107 continue
+
+C BARTEK for dfa test!
+ if (wdfa_dist.gt.0) then
+ call edfad(edfadis)
+ else
+ edfadis=0.0
+ endif
+c print*, 'edfad is finished!', edfadis
+ if (wdfa_tor.gt.0) then
+ call edfat(edfator)
+ else
+ edfator=0.0
+ endif
+c print*, 'edfat is finished!', edfator
+ if (wdfa_nei.gt.0) then
+ call edfan(edfanei)
+ else
+ edfanei=0.0
+ endif
+c print*, 'edfan is finished!', edfanei
+ if (wdfa_beta.gt.0) then
+ call edfab(edfabet)
+ else
+ edfabet=0.0
+ endif
+c print*, 'edfab is finished!', edfabet
c
c Calculate the short-range part of Evdwpp
c
C Calculate the virtual-bond torsional energy.
C
call etor(etors,edihcnstr)
+c
+c Homology restraints
+c
+ if (constr_homology.ge.1) then
+ call e_modeller(ehomology_constr)
+ else
+ ehomology_constr=0.0d0
+ endif
C
C 6/23/01 Calculate double-torsional energy
C
energia(21)=esccor
energia(22)=evdw_p
energia(23)=evdw_m
+ energia(24)=ehomology_constr
+ energia(25)=edfadis
+ energia(26)=edfator
+ energia(27)=edfanei
+ energia(28)=edfabet
c write (iout,*) "ETOTAL_SHORT before SUM_ENERGY"
call flush(iout)
call sum_energy(energia,.true.)