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DOC update tutorial examples
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Make the example parameter files and running commands up to date.
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pdebuyl committed Dec 9, 2016
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37 changes: 24 additions & 13 deletions doc/tutorial.rst
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Expand Up @@ -175,10 +175,14 @@ which is given in the listing below.
rho = 9
tau = 1.0
probability = 1.0
bulk_rmpcd = F
bulk_rate = 0.001

# simulation parameters
N_MD = 200
N_loop = 50
equilibration_loops = 50
colloid_sampling = 50

# interaction parameters
sigma_N = 4.0
Expand Down Expand Up @@ -269,15 +273,15 @@ files, such as ``h5md_plot.py``. Its usage is

.. code:: bash
python h5md_plot.py dimer.h5 --obs temperature
rmpcdmd plot dimer.h5 --obs temperature
(the ``obs`` option is preceded by two dashes) to display the
temperature in the course of time. This program can also display the
trajectory of the dimer

.. code:: bash
python h5md_plot.py dimer.h5 --traj dimer/position
rmpcdmd plot dimer.h5 --traj dimer/position
More specific information on the dimer nanomotor can be obtained via Python programs located
in the ``experiments/01-single-dimer`` directory.
Expand Down Expand Up @@ -329,21 +333,28 @@ An example simulation setup for self-proplusive Janus motor is provided in the d
probability = 1

# simulation parameters
N_MD = 50
N_loop = 50
N_MD = 100
N_loop = 512
colloid_sampling = 50
equilibration_loops = 20
data_filename = janus_structure.h5
link_treshold = 2.5
do_read_links = F
polar_r_max = 10
bulk_rate = 0.1

# interaction parameters
sigma_colloid = 1
epsilon_colloid = 1
sigma_colloid = 2
epsilon_colloid = 2
do_lennard_jones = T
do_elastic = F
do_rattle = T
rattle_pos_tolerance = 1d-8
rattle_vel_tolerance = 1d-8

sigma = 3
epsilon_N = 1.0 0.5
epsilon_C = 1.0 0.5

epsilon_N_N = 1.0
epsilon_N_C = 1.0
epsilon_C_C = 1.0
bulk_rate = 0.001
epsilon_N = 1.0 5.0
epsilon_C = 1.0 1.0


To run the simulation, use ``make simulation``, and check the propulsion speed :math:`V_z`
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