include 'COMMON.VAR'
include 'COMMON.LOCAL'
include 'COMMON.CONTROL'
-
+#ifndef DFA
+ edfadis=0.0d0
+ edfator=0.0d0
+ edfanei=0.0d0
+ edfabet=0.0d0
+#endif
c write(iout,'(a,i2)')'Calling etotal_short ipot=',ipot
c call flush(iout)
if (modecalc.eq.12.or.modecalc.eq.14) then
C Calculate electrostatic (H-bonding) energy of the main chain.
C
107 continue
-
+#ifdef DFA
C BARTEK for dfa test!
- if (wdfa_dist.gt.0) call edfad(edfadis)
+ 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) call edfat(edfator)
+ 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) call edfan(edfanei)
+ 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) call edfab(edfabet)
+ if (wdfa_beta.gt.0) then
+ call edfab(edfabet)
+ else
+ edfabet=0.0
+ endif
c print*, 'edfab is finished!', edfabet
+#endif
c
c Calculate the short-range part of Evdwpp
c