Lipid 128 heating 100K
 &cntrl
  imin=0,         ! Molecular dynamics
  ntx=1,          ! Positions read formatted with no initial velocities
  irest=0,        ! No restart
  ntc=2,          ! SHAKE on for bonds with hydrogen
  ntf=2,          ! No force evaluation for bonds with hydrogen
  tol=0.0000001,  ! SHAKE tolerance
  nstlim=2500,    ! Number of MD steps
  ntt=3,          ! Langevin thermostat
  gamma_ln=1.0,   ! Collision frequency for Langevin thermostat
  ntr=1,          ! Restrain atoms using a harmonic potential
                  ! (See the GROUP input below)
  ig=-1,          ! Random seed for Langevin thermostat
  ntpr=100,
  ntwr=10000,
  ntwx=100,       ! Write to trajectory file every ntwx steps
  dt=0.002,       ! Timestep (ps)
  nmropt=1,       ! NMR restraints will be read (See TEMP0 control below)
  ntb=1,
  ntp=0,
  cut=10.0,
  ioutfm=1,       ! Write a binary (netcdf) trajectory
  ntxo=2,         ! Write binary restart files
 /
 &wt 
  type='TEMP0',   ! Varies the target temperature TEMP0
  istep1=0,       ! Initial step
  istep2=2500,    ! Final step
  value1=0.0,     ! Initial temp0 (K)
  value2=100.0 /  ! final temp0 (K)
 &wt type='END' / ! End of varying conditions
Hold lipid fixed
10.0              ! Force constant (kcal/(mol Angstroms^2))
RES 1 384         ! Choose residues
END
END               ! End GROUP input