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Releases: kassonlab/brer_plugin

BRER MD extension code for GROMACS

07 Aug 09:47
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Pre-release

This release establishes https://github.com/kassonlab/brer_plugin as the home for the BRER MD extension code described in
Hays, J. M., Cafiso, D. S., & Kasson, P. M. Hybrid Refinement of Heterogeneous Conformational Ensembles using Spectroscopic Data. The Journal of Physical Chemistry Letters. DOI: 10.1021/acs.jpclett.9b01407

Significant changes from the initial release:

BRER plugin, initial release

07 Aug 09:40
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See https://github.com/jmhays/sample_restraint/releases/tag/v1.0.0-BRER and

Hays, J. M., Cafiso, D. S., & Kasson, P. M. Hybrid Refinement of Heterogeneous Conformational Ensembles using Spectroscopic Data. The Journal of Physical Chemistry Letters. DOI: 10.1021/acs.jpclett.9b01407