Uses of Package
ffx.potential.extended
Package
Description
The Dynamics package implements molecular and stochastic dynamics using a pure Java code path and
via OpenMM.
The Optimize package contains local and global optimization algorithms using pure Java and OpenMM
code paths.
The Potential package implements molecular mechanics force fields with shared memory Parallel
Java and via OpenMM.
The Nonbonded package implements nonbonded molecular mechanics terms such as van der Waals and
Particle Mesh Ewald electrostastics.
The Parsers package handles reading/writing files to/from the internal data structure.