Skip to content

Adaptive landscape flattening scripts for use with CHARMM/pyCHARMM Multi-site lambda dynamics

License

Notifications You must be signed in to change notification settings

BrooksResearchGroup-UM/ALF

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

8 Commits
 
 
 
 
 
 
 
 
 
 

Repository files navigation

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

About

Adaptive landscape flattening scripts for use with CHARMM/pyCHARMM Multi-site lambda dynamics

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages