H-NS-DNA binding (2019) - GROMACS RETIS
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Simulation
----------
task = retis
steps = 10
interfaces = [10.0, 11.0, 12.0, 13.0, 14.0, 15.0, 16.0, 17.0, 18.0, 19.0, 20.0, 21.0]

System
------
units = gromacs

Engine settings
---------------
class = gromacs
gmx = gmx
mdrun = gmx mdrun
input_path = ext_input
timestep = 0.002
subcycles = 5
gmx_format = gro

TIS settings
------------
freq = 0.5
maxlength = 20000
aimless = True
allowmaxlength = False
zero_momentum = False
rescale_energy = False
sigma_v = -1
seed = 0

RETIS settings
--------------
swapfreq = 0.5
relative_shoots = None
nullmoves = True
swapsimul = True

Initial-path
------------
method = kick

Orderparameter
--------------
class = CmassDistance
module = orderp.py