A Crystal web framework that makes building applications fast, simple, and enjoyable. Get started with quick prototyping, less bugs, and blazing fast performance.
Is your feature request related to a problem? Please describe.
In some docs, examples, code comments, etc. there are references made to Systems that are currently only OpenMM System objects. While the OpenFF System is still early in development, there will be a future in which both objects exist as desirable outputs of the toolkit. This
Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run locally but allows simulations to be sent to powerful machines.
Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amber (GAFF) parameters to them.
Is your feature request related to a problem? Please describe.
In some docs, examples, code comments, etc. there are references made to
Systems that are currently only OpenMMSystemobjects. While theOpenFF Systemis still early in development, there will be a future in which both objects exist as desirable outputs of the toolkit. This