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Create custom equilibration scheme for Lipid21-POPC membrane runs

Status: Open.

#40 In qusers/Q;

· David-Araripe opened on Aug 20, 2025

look into PubChem 3D ligand aligner

Status: Open.

#32 In qusers/Q;

· David-Araripe opened on Sep 16, 2024

implement structure minimization on the workflow

Status: Open.

#31 In qusers/Q;

· David-Araripe opened on May 21, 2024

Implement analyze FEP verbose to investigate convergence

Status: Open.

#29 In qusers/Q;

· David-Araripe opened on May 8, 2024

Implement the OPLS2015 parameter generation with FFLD and with Ligpargen

Status: Open.

#26 In qusers/Q;

· hteran opened on Apr 29, 2024

Implement LRF

Status: Open.

#19 In qusers/Q;

· ChielJespers opened on Oct 12, 2022

Additional tests

Status: Open.

#18 In qusers/Q;

· jesperswillem opened on Oct 12, 2022

Softcore

Status: Open.

#17 In qusers/Q;

· ChielJespers opened on Sep 14, 2022

Q planning

Status: Open.

#14 In qusers/Q;

· jesperswillem opened on Sep 7, 2022