! Module file: one_term_wa
!
! CNS module
! **********
!
! Authors: Axel T. Brunger and Paul Adams
!
! copyright Yale University
!
! Function:
!    Calculate the weight for the crystallographic energy term 
!    normalized such that rmsF * wa = 10 (empirical value)
!
! Requirements:
!    To be called from the main level

module {one_term_wa}
(
  &wa=$wa_temp;
)

set message ? end
evaluate ($message_old=$result)
set echo ? end
evaluate ($echo_old=$result)
if ( $log_level = verbose ) then
  set echo=on message=normal end
else
  set echo=off message=off end
end if

checkversion 1.3

xray wa=1 end

energy end

evaluate (&wa=10/$grad)

xray wa=&wa end

display  one_term_wa: optimal value for wa= &wa

set message=$message_old echo=$echo_old end