Jocelyn Sunseri edited APBS_cite_Baker_2001_performs_solvation__.tex  about 8 years ago

Commit id: 69cec430cc15b8b03ddeabca10fe93c9eb5fc854

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APBS \cite{Baker_2001} performs solvation free energy calculations using the Poisson-Boltzmann implicit solvent method.  Campari \cite{Vitalis_2009} conducts flexible Monte Carlo sampling of biopolymers in internal coordinate space, with built-in analysis routines for structural properties and support for replica exchange and Wang-Landau sampling.  Gromacs \cite{Pronk_2013} is a complete and well-established package for molecular dynamics simulations that provides high performance on both CPUs and GPUs. It can be used for free energy and QM/MM calculations.  LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) \cite{Plimpton_1995} is a highly modular classical molecular dynamics simulator that includes a diverse array of energy potentials and integrators.