hippo input file

mode                                    MD simulation
input type                   [PDB,zmx]  PDB                                     
input file                              walp-tm-eq.pdb         
  use_pdb_coordinates                   1 
  align principal axis                  3
max_steps                               5000
T                                  [K]  353.15
use_SSE (0 = slow double prec.)         1
use_pbc                                 1
cutoff                             [A]  14.0
  LJ cutoff correction                  0
freq_pdb_out                            1e7
freq_xyz_out                            1e4
freq_E_out                              1e2
freq_state_restart_out                  1e5
print_speed                             1
MD timestep                       [fs]  0.5
  use rattle for H bonds                1
  thermostat                            1
    Collision frequency        [steps]  500
    Collision ratio     [of all atoms]  0.05
  use_NPT                               1
    pressure                     [atm]  1.0
    isotropic pressure moves            0
    fixed x,y box edge                  1
    barostat                            1
      freq_vol_move                     1000
openMP numthreads                       1

                                        
