Submoves (2022) - GROMACS water-hole (hole)
===========================================

Simulation
----------
task = tis
steps = 5000
interfaces = [5.5, 10.5, 100.5]

System
------
units = gromacs

Engine settings
---------------
class = gromacs2
gmx = gmx
mdrun = gmx mdrun
input_path = gromacs_input
timestep = 0.002
subcycles = 50
maxwarn = 15
write_vel = True
write_force = False
gmx_format = g96

TIS settings
------------
freq = 0.0
maxlength = 50000
aimless = True
allowmaxlength = False
zero_momentum = False
rescale_energy = False
shooting_move = 'cs'
n_jumps = 10
high_accept = True
interface_cap = 15.5
sigma_v = -1

RETIS settings
--------------
swapfreq = 0.0
relative_shoots = None
nullmoves = True
swapsimul = True

Initial-path
------------
method = load
load_folder = load

Orderparameter
--------------
class = H20Hole
module = orderparameter.py
name = H20-hole

Output settings
---------------
order-file = 1
pathensemble-file = 1
cross-file = 1
backup = overwrite
restart-file = 1
trajectory-file = 100
energy-file = 1
screen = 1