Basic molecular dynamics tools
Project description
lab-tools
This is a collection of tools for daily work in the lab. The main goal is to automate some boring tasks and make the work with molecular dynamics simulations more efficient.
Install
Just run
pip3 install git+https://github.com/jkrajniak/lab-tools.git
The main entry to the tools is md_tools, just type
md_tools --help
Content
scripts- some more or less usefull scripts for daily work with HPC cluster, VOTCA or LaTeX ;-)examples- some examples of input files
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