Difference between revisions of "MSMBuilder"
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Revision as of 21:00, 10 September 2012
Description
MSMBuilder is an open source software package for automating the construction and analysis of Markov state models (MSMs). It is primarily written in the python programming language with C extensions for the most time consuming routines. MSMs are a powerful means of modeling the structure and dynamics of molecular systems, like proteins.
Required Modules
Serial
- msmbuilder
System Variables
- HPC_{{#uppercase:msmbuilder}}_DIR - installation directory
Additional Information
To run the graphical interface of molden, please connect to an interactive node.