! module file: scalehot
!
! CNS MODULE
! **********
!
! Authors: Gregory L. Warren and Axel T. Brunger
!
! copyright Yale University
!
! version 2/25/98
!
! Function:
!    This module sets the NMR restraint data weight 
!    for high temperature dynamics
!
! Requirements:
!    See the top level script file for the 
!    defined parameter(s) nmr and md. 
! 
!

module { scalehot }
( 
   &md=md;                   {INPUT: md parameters}
   &nmr=nmr;                 {INPUT: nmr restraints parameters}
   &input.noe.scale=input.noe.scale;    {INPUT: noe weight}
   &input.cdih.scale=input.cdih.scale;  {INPUT: cdih weight}
)

checkversion 1.3

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

   noe 
      scale * &input.noe.scale
   end
		
   restraints dihedral
      scale = &input.cdih.scale
   end
	
   evaluate ($count = 1)
   while (&exist%nmr.dani.file.$count=true) loop nloop
      evaluate ($clsname = "D"+encode($count))
      if (&nmr.dani.file.$count # "" ) then
         dani
            class $$clsname force &nmr.dani.force.init.$count
         end
      end if
      evaluate ($count = $count + 1)
   end loop nloop

   evaluate ($count = 1)
   while (&exist%nmr.sani.file.$count=true) loop nloop
      evaluate ($clsname = "S"+encode($count))
      if (&nmr.sani.file.$count # "" ) then
         sani
            class $$clsname force &nmr.sani.force.init.$count
         end
      end if
      evaluate ($count = $count + 1)
   end loop nloop

set message=$message_old echo=$echo_old end