source/wham/src/setup_var.f

   1       subroutine setup_var
   2       implicit real*8 (a-h,o-z)
   3       include 'DIMENSIONS'
   4       include 'DIMENSIONS.ZSCOPT'
   5       include 'COMMON.IOUNITS'
   6       include 'COMMON.GEO'
   7       include 'COMMON.VAR'
   8       include 'COMMON.CHAIN'
   9       include 'COMMON.INTERACT'
  10 C Set up variable list.
  11       ntheta=nres-2
  12       nphi=nres-3
  13       nvar=ntheta+nphi
  14       nside=0
  15       do i=2,nres-1
  16         if (itype(i).ne.10) then
  17           nside=nside+1
  18           ialph(i,1)=nvar+nside
  19           ialph(nside,2)=i
  20         endif
  21       enddo
  22       if (indphi.gt.0) then
  23         nvar=nphi
  24       else if (indback.gt.0) then
  25         nvar=nphi+ntheta
  26       else
  27         nvar=nvar+2*nside
  28       endif
  29 cd    write (iout,'(3i4)') (i,ialph(i,1),ialph(i,2),i=2,nres-1)
  30       return
  31       end