MSMBuilder
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msmbuilder
MSMBuilder 1.0.1
Feb 12, 2011

Update to v1.0 that fixes scipy and gromacs compatibility issues. This release should work with any current release of scipy (presently up to v0.9) without giving strange implied timescales. It should also work with all the 4.x releases of gromacs. We highly recommend using the Virtual Machine with gromacs and MSMBuilder pre-installed for ease of use.Notes  

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PLEASE CITE THESE PAPERS

Bowman GR, Huang X, and Pande VS. Using generalized ensemble simulations and Markov state models to identify conformational states. Methods (2009)


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MSMBuilder2
MSMBuilder2 is a complete overhaul of MSMBuilder. It features improved clustering algorithms and improved estimators for transition matrices. MSMBuilder2 works in Linux and OSX platforms. See Docs/Tutorial.pdf for complete installation instructions.
2.7.0
Jan 28, 2014

  

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PLEASE CITE THESE PAPERS

MSMBuilder2: Modeling Conformational Dynamics at the Picosecond to Millisecond Scale. JCTC 2011. (2011)

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Mar 17, 2025

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