c write(iout,*) "TEST_ENE1 ehomology_constr=",ehomology_constr
C BARTEK for dfa test!
- if (wdfa_dist.gt.0) call edfad(edfadis)
+ if (wdfa_dist.gt.0) then
+ call edfad(edfadis)
+ else
+ edfadis=0.0d0
+ endif
c write(iout,*)'edfad is finished!', wdfa_dist,edfadis
- if (wdfa_tor.gt.0) call edfat(edfator)
+ if (wdfa_tor.gt.0) then
+ call edfat(edfator)
+ else
+ edfator=0.0d0
+ endif
c write(iout,*)'edfat is finished!', wdfa_tor,edfator
- if (wdfa_nei.gt.0) call edfan(edfanei)
+ if (wdfa_nei.gt.0) then
+ call edfan(edfanei)
+ else
+ edfanei=0.0d0
+ endif
c write(iout,*)'edfan is finished!', wdfa_nei,edfanei
- if (wdfa_beta.gt.0) call edfab(edfabet)
+ if (wdfa_beta.gt.0) then
+ call edfab(edfabet)
+ else
+ edfabet=0.0d0
+ endif
c write(iout,*)'edfab is finished!', wdfa_beta,edfabet
c write (iout,*) "ft(6)",fact(6)," evdw",evdw," evdw_t",evdw_t
C
implicit real*8 (a-h,o-z)
include 'DIMENSIONS'
- include 'DIMENSIONS.ZSCOPT'
+ include 'DIMENSIONS.FREE'
include 'COMMON.SBRIDGE'
include 'COMMON.CHAIN'
include 'COMMON.DERIV'