WHAM

WHAM code (in Fortran 90) for Weighted Histogram Analysis Method of the Replica Exchange Molecular Dynamics simulations with an added bias into potential energy function.

References:

H. Kamberaj, Conformational Sampling Enhancement of Replica Exchange Molecular Dynamics Simulations Using Swarm Particle Intelligence, The Journal of Chemical Physics, 143, 124105, 2015.

Unless otherwise stated, the content of this page is licensed under Creative Commons Attribution-ShareAlike 3.0 License