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Project description
Physical validation reference
physical_validation is a package aimed at testing results obtained
by molecular dynamics simulations for their physical validity.
Please cite
Merz PT, Shirts MR (2018) Testing for physical validity in molecular simulations. PLoS ONE 13(9): e0202764. https://doi.org/10.1371/journal.pone.0202764
Please check https://physical-validation.readthedocs.io for the full reference.
physical_validation incorporates the functionality of
checkensemble.
This software is developed in the Shirts group at University of Colorado in Boulder.
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