A command-line tool in AmberTools for preparing small molecules or non-standard residues within GAFF/AMBER-compatible chemical space for molecular mechanics simulations, by automating atom/bond typing, charge generation or import, and force-field–compatible input generation. USE WHEN you are working in AMBER, dealing with molecules not covered by standard force fields, and already have a structure that can be processed (e.g., pdb, mol2, ac, gout). Typical use cases include parameterizing ligands or modified residues (assigning atom/bond types, generating or reading partial charges), converting...
At a glance
git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills
cp -r computational-chemistry-agent-skills/molecular-dynamics/antechamber ~/.claude/skills/antechamber
Setup, runtime and requirements describe jinzhezenggroup/computational-chemistry-agent-skills, the repo this skill ships in.
Also in jinzhezenggroup/computational-chemistry-agent-skills
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