BioSimSpace._Config

The _Config package contains functionality for generating configuration files for different molecular dynamics engines. The functionality in this sub-package is only used internally by the Process classes and isn’t exposed directly to the user.

Classes

Amber(system, protocol[, property_map])

A class for generating configuration files for AMBER.

Gromacs(system, protocol[, property_map])

A class for generating configuration files for GROMACS.

Somd(system, protocol[, property_map])

A class for generating configuration files for SOMD.