List view

Stabilize settings before release

Status: Open.

#51 In OpenFreeEnergy/feflow;

· ijpulidos opened on Jul 1, 2024

Add extends support to the NonEquilibriumCyclingProtocol

priority:medium

Status: Open.

#2 In OpenFreeEnergy/feflow;

· dotsdl opened on Sep 27, 2023

Migrate openmm specific settings from upstream

Status: Open.

#22 In OpenFreeEnergy/feflow;

· ijpulidos opened on Dec 13, 2023

Setup Unit should work with different integrators

enhancementNew feature or requestNew feature or request

Status: Open.

#36 In OpenFreeEnergy/feflow;

· ijpulidos opened on Mar 9, 2024

Test against lastest OpenFF release instead of GAFF

Status: Open.

#48 In OpenFreeEnergy/feflow;

· ijpulidos opened on Jun 4, 2024

Allow passing a json file for forcefield parameters cache

enhancementNew feature or requestNew feature or request

Status: Open.

#50 In OpenFreeEnergy/feflow;

· ijpulidos opened on Jun 25, 2024

Add systems, components and mapping validation when creating a protocol

enhancementNew feature or requestNew feature or request

Status: Open.

#54 In OpenFreeEnergy/feflow;

· ijpulidos opened on Jul 26, 2024

Implement NEq switching by transforming current NEq Cycling

enhancementNew feature or requestNew feature or request

Status: Open.

#65 In OpenFreeEnergy/feflow;

· ijpulidos opened on Sep 4, 2024

Try to document where the protocols are useful in projects

Status: Open.

#68 In OpenFreeEnergy/feflow;

· ijpulidos opened on Sep 12, 2024

Support for different protein conformations in the protocol

Status: Open.

#69 In OpenFreeEnergy/feflow;

· ijpulidos opened on Sep 12, 2024