#VMD TOPOTOOLS CODE#

Can be used as a library or as an application with an intuitive Python interface. High performance toolkit for CPU/GPU-accelerated molecular dynamics simulation and setup. It contains NAB (build molecules run MD or distance geometry, using generalized Born, Poisson-Boltzmann or 3D-RISM implicit solvent models), antechamber and MCPB (create force fields for general organic molecules and metal centers), tleap and sleap (Basic preparation program for Amber simulations), sqm (semiempirical and DFTB quantum chemistry program), pbsa (Performs numerical solutions to Poisson-Boltzmann models), 3D-RISM (Solves integral equation models for solvation), ptraj and cpptraj (structure and dynamics analysis of trajectories), MMPBSA.py and amberlite (Energy-based analyses of MD trajectories) AmberTools consists of several independently developed packages that work well by themselves, and with Amber itself.

#VMD TOPOTOOLS CODE#

Package of molecular simulation programs, including source code and demos. (Assisted Model Building with Energy Refinement). Free open source molecular dynamics simulation package.

(GROningen MAchine for Chemical Simulations). (Chemistry at HARvard Macromolecular Mechanics).

Vmd topotools