forcefield: amber14sb_OL15
replicas: 3
mapping:
  dist_cutoff: 0.6
  charge_cutoff: 0.05
  charge_common: mean
  charge_reception: surround
soft_core:
  alpha: 0.5
  sigma: 0.3
lambda:
  strategy: decoupled
  distribution: nonlinear
  windows: 32
  coul_windows: 12
  vdw_windows: 20
simulation:
  equilibration_nvt_time_ps: 500
  equilibration_npt_time_ps: 500
  production_time_ns: 2.0
  dt: 0.002
  temperature: 310
  pressure: 1.0
electrostatics:
  rcoulomb: 1.0
vdw:
  rvdw: 1.0
output:
  trajectory_interval_ps: 500
  energy_interval_ps: 10
  log_interval_ps: 10
execution:
  mode: standard
  total_cpus: 40
  num_gpus: 4
  parallel_windows: 4
  use_gpu_pme: true
protein:
  forcefield: amber14sb_OL15
  water_model: tip3p
water_model: tip3p