mstk.forcefield.Ppf

class mstk.forcefield.Ppf(*files)

Parse ForceField from PPF file.

PPF is the native format of Direct Force Field. Currently, only the DFF-AMBER functional form of PPF is supported, which contains following terms:

Several files can be read at one time. Only one ForceField object will be created and it will contain force field terms from all of the files.

PPF format can optionally store the version of parameters. If a force field term describing one topology element appear several times, only the one with the latest version will be loaded. If there are duplicated terms without version record, an Exception will be raised.

Parameters:

files (list of str) –

forcefield
Type:

ForceField

Notes

In PPF file, there is no 1/2 for all energy terms

Methods

__init__(*files)