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ALF

  • (1) Hayes, R. L.; Armacost, K. A.; Vilseck, J. Z.; Brooks, C. L., III. Adaptive Landscape Flattening Accelerates Sampling of Alchemical Space in Multisite lambda Dynamics. J Phys Chem B 2017, 121 (15), 3626-3635. DOI: 10.1021/acs.jpcb.6b09656.

Adaptive Landscape Flattening scripts for use with CHARMM/pyCHARMM Multi-site $\lambda$-dynamics.

ALF was developed within the Brooks Research Group at the University of Michigan and is currently overseen by Ryan Hayes at the University of California, Irvine.

To download the ALF GitHub repository (housed on Ryan's site) execute the command: git clone [email protected]:RyanLeeHayes/ALF.git.

ALF is an integral component of running MS $\lambda$ D in CHARMM/pyCHARMM, software availble free of charge for academic and government laboratories.

To install the repository clone it on your local computer and then:

retreiveSubmodule.sh