Use when working with molecular mechanics force fields for MD simulations. Covers force field theory (AMBER/CHARMM/OPLS/SMIRNOFF), OpenMM simulation setup, OpenFF/SMIRNOFF parameterization of small molecules, GAFF2/antechamber, partial charge methods (AM1-BCC, RESP), energy decomposition, and water models.
How to install force-fields?
kdevos12/alkyl/force-fields
$npx -y skills add kdevos12/alkyl --skill force-fieldsInstalls into the current project.
›Prefer a prompt? Paste this to your agent
Run `npx skills use "https://github.com/kdevos12/alkyl" --skill "kdevos12/alkyl/force-fields"` and follow the generated skill instructions now. Read its complete output, redirecting it to a temporary file first if necessary. Resolve relative paths from the supporting-files directory it provides.
Use the skills in "https://github.com/kdevos12/alkyl" that are relevant to the current task. Run `npx skills add "https://github.com/kdevos12/alkyl"` and select the relevant skills, then follow their instructions.
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