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somd-freenrg crashes when ligand atoms are completely non-interacting

bugSomething isn't workingSomething isn't working

Status: Open.

#100 In OpenBioSim/sire;

· fjclark opened on Aug 25, 2023

Add support for reading Gromacs FEP topology files

enhancementNew feature or requestNew feature or request

Status: Open.

#169 In OpenBioSim/sire;

· chryswoods opened on Feb 23, 2024

Add trajectory sorting function

Status: Open.

#191 In OpenBioSim/sire;

· chryswoods opened on Apr 27, 2024