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- Status: Open.#18 In CCPBioSim/fesetup;
- Status: Open.#16 In CCPBioSim/fesetup;
- Status: Open.#12 In CCPBioSim/fesetup;
Gromacs dummy atoms
bugSomething isn't workingSomething isn't workingStatus: Open.#9 In CCPBioSim/fesetup;- Status: Open.#8 In CCPBioSim/fesetup;
FESetup cannot find maximum commen substructure even when timeout is set to no time out
bugSomething isn't workingSomething isn't workingStatus: Open.#7 In CCPBioSim/fesetup;ligand charges
bugSomething isn't workingSomething isn't workingStatus: Open.#6 In CCPBioSim/fesetup;problem with GROMACS two-step topologies
bugSomething isn't workingSomething isn't workingStatus: Open.#4 In CCPBioSim/fesetup;Unit tests
feature requestNew feature or requestNew feature or requestStatus: Open.#3 In CCPBioSim/fesetup;- Status: Open.#2 In CCPBioSim/fesetup;
- Status: Open.#1 In CCPBioSim/fesetup;