GitHub - molmod/md-tracks: MD-Tracks is a statistical analysis toolkit for molecular dynamics and monte carlo simulations.

This repository has been archived by the owner on Apr 14, 2023. It is now read-only.

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MD-Tracks is a statistical analysis toolkit for molecular dynamics and monte carlo simulations.

GPL-3.0 license

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Name		Name	Last commit message	Last commit date
Latest commit History 312 Commits
doc		doc
scripts		scripts
test		test
tracks		tracks
COPYING		COPYING
HEADER		HEADER
MANIFEST.in		MANIFEST.in
README		README
cleancode.sh		cleancode.sh
cleanfiles.sh		cleanfiles.sh
project.info		project.info
setup.py		setup.py
updateheaders.py		updateheaders.py
updatesite.sh		updatesite.sh

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This repository is a read-only archive. Futher development has been discontinued.
Consider using MDTRaj instead: https://github.com/mdtraj/mdtraj

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MD-Tracks is a trajectory analysis toolkit for molecular dynamics and Monte
Carlo simulations. It is designed to interact with several simulation codes that
generate trajectory data: CP2K, CPMD, DLPOLY, GROMACS, LAMMPS. The trajectory
output files are first converted into a in a uniform binary format, which can
then be processed with a bundle of analysis scripts, e.g. for the analysis of
vibrational spectra, diffusion constants, radial distribution functions, and so
on.

More information about MD-Tracks can be found on the CMM Software website:
http://molmod.ugent.be/software/

MD-Tracks is distributed as open source software under the conditions of the GPL
license version 3.  Read the file COPYING for more details, or visit
http://www.gnu.org/licenses/