Add support for replica exchange and REST2#273

Merged

lohedges merged 70 commits intodevelfrom feature_repex

Jan 21, 2025

+3,742-2,174

Commits on Jul 10, 2024

Commits on Jul 17, 2024

Added full end-to-end alchemical dihedral restraints implementation - bugs might still be lurking somewhere
akalpokas
committed

Commits on Jul 19, 2024

Added full end-to-end alchemical angle restraints implementation, and also renamed the core alchemical angle/dihedral restraint c++ files
akalpokas
committed
Add the missing corelib files for angle restraints
akalpokas
committed

Commits on Jul 20, 2024

Merge branch 'OpenBioSim:devel' into feature_alchemical_restraints_contd
akalpokas
authored

Commits on Nov 11, 2024

Commits on Nov 22, 2024

Add support for REST2.
lohedges
committed

Commits on Nov 26, 2024

Commits on Nov 28, 2024

Add missing scale factor in exception.
lohedges
committed

Commits on Dec 13, 2024

Merge branch 'devel' into feature_repex
lohedges
committed

Commits on Jan 7, 2025

Handle cis/trans double bond stereo value in SDF files. [closes #270 ]
lohedges
committed

Commits on Jan 13, 2025

Commits on Jan 14, 2025

Commits on Jan 17, 2025