program prephydraflex
      character*80 fn,ts
      character*10 s10
c
      write(6,6000)
6000  format(' Making driving script for Raman and IR spectra',/,
     1       ' MD/QM calculation for flexible hydrated molecules',/,/,
     4       ' Files that have to exist:',/,
     2       ' depo of ab initio fragments/conformers',/,
     5       ' AUTO, CCT.INP (+ source molecules listed therein)',/,
     2       ' BIJ.SCR with the solvent correction parameters',/,/,
     2       ' HYPEP.OPT',/,/,
     3       ' Output: gohydraflex (driving script)',/,/,
     6       ' Programs that have to run:',/,
     7       ' cctn, new1,new2,new4,new5,new6,hypep',/,/,
     8       ' Input interval of atoms (N1 N2) in MD geoms:',$)       
      read(5,*)NA1,NA2
      write(s10,202)NA1,NA2
202   format(2I5)
      write(6,6001)
6001  format('How many MD structures should be calculated ? ',$)
      read(5,*)NMD
      open(3,file='gohydraflex')
      do 1000 istr=1,NMD
      write(ts,*)istr
      do 1 is=1,len(ts)
1     if(ts(is:is).ne.' ')goto 2
2     do 3 ie=len(ts),1,-1
3     if(ts(ie:ie).ne.' ')goto 4
4     write(3,*)'1md'
      write(3,*)'tinkertomcm tinker.xyz ',s10
      write(3,*)'cp CCT.INP.1 CCT.INP'
      write(3,2031)
2031  format('mv FILE.X BIG.X',/,'cctn')
      write(3,*)'mv FILE.FC SMALL.FC'
      write(3,*)'mv FILE.X SMALL.X'
      write(3,*)'mv FILE.TEN SMALL.TEN'
      write(3,*)'mv FILE.TTT SMALL.TTT'
      write(3,*)'cp CCT.INP.2 CCT.INP'
      write(3,*)'hypep'
      write(3,2032)
2032  format('new1',/,'new2',/,'new4',/,'new5',/,'new6')
      write(3,*)'cp DOG.TAB '//ts(is:ie)//'.tab'
      write(3,*)'cp ROA.TAB '//ts(is:ie)//'roa.tab'
1000  write(3,*)
      close(3)
      write(6,*)' gohydraflex made.'
      stop
      end