For the latest MSMBuilder releases, please see our web page
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
Download Links
Documentation Links
Bowman GR, Huang X, and Pande VS. Using generalized ensemble simulations and Markov state models to identify conformational states. Methods (2009)
MSMBuilder2: Modeling Conformational Dynamics at the Picosecond to Millisecond Scale. JCTC 2011. (2011)
Previous Releases
MSMBuilder2.5 (beta) includes performance enhancements, support for arbitrary distance metrics, hierarchical clustering, and improved PCCA+ lumping.Notes
Minor improvements in PCCA, PCCA+
Source code and installation files. Notes
Minor Bugfixes
Bugfixes for MSMBuilder2Notes