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Python to help setup and run molecular dynamics simulations

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MD-Assistant

Python to help setup and run molecular dynamics simulations

This will likely turn into a repository of python scripts and modules to ease the use of NAMD (www.ks.uiuc.edu/Research/namd/) and LAMMPS (lammps.sandia.gov/).

Likely things you can find elsewhere... This is for coding practice and personal education.

Also eventually integrating MD processes easily with SPPARKS (spparks.sandia.gov/) would probably be cool. --Rory Vander Valk

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