Sample minimization file
 &cntrl
   imin=1, maxcyc=1000, ntmin=2,
   ntc=2, ntf=2,
   cut=12.0,
   ntpr=50, ntwx=50,
   nstlim = 3000, dt=0.002,
   ntt=3, tempi=0.0, temp0=300.0, tautp=2.0,
   ntx=1, irest=0, ntb=0,
   nscm = 1000,
 &end