Test for a single step
 &cntrl
   imin=0, irest=0, ntx=1,
   nstlim=1, dt=0.001,
   ntpr=1, ntwx=1, ntwr=1,
   cut=999.0, ntb=0,
   tempi=0.0, temp0=0.0,
   ioutfm=1, ntwv=-1, ig=-1, ntxo=1,
/
&debugf
   do_debugf = 1,
   atomn = 1, 10, 399, 590, 1190,
/
