A summary of the question or discussion topic.
It needs to be clearer what forcefield strings you can use for energy minimization. For example, the openmm method gives us access to the forcefields prepackaged in Foyer, so we should make it clear at the top level that you can access these forcefields with the arguments forcefield="oplsaa", and forcefield="trappe-ua".
A summary of the question or discussion topic.
It needs to be clearer what forcefield strings you can use for energy minimization. For example, the openmm method gives us access to the forcefields prepackaged in Foyer, so we should make it clear at the top level that you can access these forcefields with the arguments
forcefield="oplsaa", andforcefield="trappe-ua".