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NAMD_REST

REST (Replica Exchange Solute Tempering) Implementation in NAMD. The implementation is based on NAMD version 2.10. Various tests for verification of the implementaiton and actual examples are included in this repository.

This work has been published in Compute. Phys. Comm.

A generic implementation of replica exchange with solute tempering (REST2) algorithm in NAMD for complex biophysical simulations. Sunhwan Jo and Wei Jiang. Computer Physics Communications. 2015. 197. 304-311. DOI:10.1016/j.cpc.2015.08.030

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