[gmx-users] psf2top: a tool for converting NAMD PSF files to GROMACS topologies

Reza resal81 at gmail.com
Tue Sep 3 19:53:49 CEST 2013

Hi all,

I've written a tool, called psf2top.py which can convert NAMD PSF files directly to GROMACS topologies. It is part of PyTopol package and is available here https://github.com/resal81/PyTopol .  

Please note that PyTopol is currently in alpha stage. If you test psf2top.py on your PSF files, please let me know about the results here https://github.com/resal81/PyTopol/issues.

Reza Salari

Reza Salari, Ph.D.
Postdoctoral Researcher

Brannigan Lab
Center for Computational and Integrative Biology
Rutgers University-Camden
Camden, NJ

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