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improved README.md
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Ruggero Cortini committed Mar 16, 2018
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Expand Up @@ -22,14 +22,16 @@ The code presented here is organized in two main subdirectories: `sims` and

The **sims** folder contains several subdirectories:

1. `monovalent`: code for simulating monovalent tracers
2. `multivalent`: code for simulating multivalent tracers
1. `monovalent`: code for simulating monovalent tracers (Supplementary Note 4)
2. `multivalent`: code for simulating multivalent tracers (Figures 2, 3, 4, 5 of
Main Text, Supplementary Notes 1, 2, 3, 7)
3. `crowding`: code for simulating tracers in the presence of a crowded
environment
environment (Supplementary Note 6)
4. `r_sigma`: code for simulating tracers with varying diameter, and comes in
two flavors
1. `monovalent`: the tracers are monovalent
2. `multivalent`: the tracers are multivalent
Both are in Supplementary Note 5.

The **analysis** folder contains two subdirectories:

Expand All @@ -40,7 +42,12 @@ The **analysis** folder contains two subdirectories:

## Environment setup

First let's set up the environment to run and analyze the simulations.
First let's set up the environment to run and analyze the simulations. First of
all, clone the repository to your local machine. From a shell:
```
cd /path/to/download
git clone https://github.com/rcortini/sbs_tracers
```

### Requirements

Expand Down Expand Up @@ -74,14 +81,16 @@ shell. You are then ready to run the simulations and analyze them.

## Running a simulation
The `sims` directory contains several subdirectories, each of which contains an
`sbs_tracers.py` file. From a shell, run
`sbs_tracers.py` file. From a shell, for example you could run
```
cd /path/to/download/sims/multivalent
python sbs_tracers.py <options>
```
will run a simulation. The output will be a `.gsd` file, which contains both the
topology and the trajectory of the simulated particles. The output file name
will contain also the parameters passed to the script through the `<options>`.
See the individual README files for the options to each of the simulation files.
which will run a simulation. The output will be a `.gsd` file, which contains
both the topology and the trajectory of the simulated particles. The output file
name will contain also the parameters passed to the script through the
`<options>`. See the individual README files for the options to each of the
simulation files.

All the simulation files contain the options `init_seed` and `integrate_seed`,
which are the seeds for the random number generator for initialization of the
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