DNA US 10ns
 &cntrl
  imin=0,          ! Molecular dynamics
  ntx=5,           ! Positions and velocities read formatted
  irest=1,         ! Restart calculation
  ntc=2,           ! SHAKE on for bonds with hydrogen
  ntf=2,           ! No force evaluation for bonds with hydrogen
  nstlim=5000000, ! Number of MD steps
  ntt=3,           ! Langevin thermostat
  gamma_ln=1.0,    ! Collision frequency for thermostat
  temp0=300.0,     ! Simulation temperature (K)
  ntpr=50000,      ! Print to mdout every ntpr steps
  ntwr=50000,     ! Write a restart file every ntwr steps
  ntwx=50000,      ! Write to trajectory file every ntwc steps
  dt=0.002,        ! Timestep (ps)
  ig=-1,           ! Random seed for Langevin thermostat
  ntb=2,           ! Constant pressure periodic boundary conditions
  ntp=1,           ! isotropic pressure coupling
  cut=10.0,        ! Nonbonded cutoff (Angstroms)
  ioutfm=1,        ! Write binary NetCDF trajectory
  ntxo=2,          ! Write binary restart file
  infe = 1,
&end
&wt
 type='END'
&end
&pmd
output_file='us_prod_ext.dat'
output_freq=50
cv_file='cv_prod.in'
/

