implicit real*8 (a-h,o-z)
      integer ihpb(100),jhpb(100)
      real*4 coord(3,1000)
      real*4 prec,potE,efree,rmsdev,qfrag(100)
      real*8 etot
      character*80 arg,xfile
      character*8 ucase,cfreq
      external ucase
      logical oneletter
      integer rescode
      external rescode
      
      ifreq=1
      if (iargc().lt.2) then
        print '(a)',
     &    "Usage: xdrf2x1 cxfile conf [pdbfile]"
        stop
      endif
      call getarg(1,arg)
      iext = index(arg,'.cx') - 1
      if (iext.lt.0) then
        print *,"Error - not a cx file"
        stop
      endif
      print *,"arg ",arg
      call getarg(2,cfreq)
      read (cfreq,*) iconf
      print *,"iconf",iconf
      if (iargc().gt.2) then
        call getarg(3,pdbfile)
      else
        xfile=arg(:iext)//'.x'
      endif
      open(9,file=xfile)

      call xdrfopen(ixdrf,arg, "r", iret)
      print *,"iret",iret 
      kk = 0
      do while(.true.) 
       prec=10000.0
       isize=0
       call xdrf3dfcoord(ixdrf, coord, isize, prec, iret)
       call xdrfint(ixdrf, nss, iret) 
       do j=1,nss
        call xdrfint(ixdrf, ihpb(j), iret)
        call xdrfint(ixdrf, jhpb(j), iret)
       enddo
       call xdrffloat(ixdrf, potE, iret)
       if(iret.eq.0) exit
       kk = kk + 1
       call xdrffloat(ixdrf, efree, iret)
       call xdrffloat(ixdrf, rmsdev, iret)
       call xdrfint(ixdrf, iscor, iret)
       if (kk.eq.iconf) then
         print *,"pote",pote," efree",efree," rmsdev",rmsdev

         print *,"isize",isize

         write (9,'(e15.8,2e15.5,f12.5,$)') time,potE,uconst,t_bath
         write (9,'(i4,$)') nss,(ihpb(j),jhpb(j),j=1,nss)
         write (9,'(i4,20f7.4)') nfrag,(qfrag(i),i=1,nfrag)
         write (9,'(8f10.5)') ((coord(k,j),k=1,3),j=1,isize)
         stop
       endif
      enddo
     
      end