PATH SAMPLING CODES FOR CHARMM AND NAMD

AIMLESS SHOOTING
tarfile(NAMD)
tarfile(CHARMM)
master script
links to literature:
"Obtaining Reaction Coordinates by Likelihood Maximization", Peters and Trout, J.Chem.Phys.(2006)
"Extensions to the Likelihood Maximization Approach for Finding Reaction Coordinates", Peters, Beckham, and Trout, J.Chem.Phys.(2007)
"Surface-Mediated Nucleation in the Solid-State Polymorph Transformation of Terephthalic Acid", Beckham et al., JACS(2007)

2D ISING MODEL EXAMPLE: AIMLESS SHOOTING AND LIKELIHOOD MAXIMIZATION
ising-example.tar (c-code)

EQUILIBRIUM PATH SAMPLING
tarfile(CHARMM)
manuscript.pdf