Amber Mmgbsa
PassAudited by ClawScan on May 12, 2026.
Overview
This appears to be a coherent scientific instruction-only skill for running Amber MM/GBSA calculations, with no evidence of malicious behavior in the provided artifacts.
This skill is reasonable to use as a scientific workflow guide. Before installing or invoking it, make sure you have a trusted AmberTools/Amber installation, work inside a dedicated project folder, verify ligand charge and file paths, and review commands before execution. The provided SKILL.md content was truncated in the review artifact, so this assessment is based only on the visible portion plus the metadata.
Findings (2)
Artifact-based informational review of SKILL.md, metadata, install specs, static scan signals, and capability signals. ClawScan does not execute the skill or run runtime probes.
If run in the wrong directory or with incorrect paths, the commands could overwrite or generate files in unintended locations.
The skill instructs the user to run local shell commands that transform molecular input files and generate outputs. This is purpose-aligned, but it still modifies files in the working directory.
awk ... input/receptor.pdb > prep/receptor_clean.pdb ... antechamber ... > ../logs/antechamber.log 2>&1 ... tleap -f build/tleap_rec.in > logs/tleap_rec.log 2>&1
Use a dedicated project directory, keep backups of input structures, and review each command before running it.
The skill will not provision or verify the scientific software it relies on, so results depend on the user's local AmberTools/Amber installation.
The registry metadata does not declare or install the AmberTools/Amber binaries that the guide expects the user to have available. This is not malicious, but users must source those tools independently.
Required binaries (all must exist): none ... Install specifications: No install spec — this is an instruction-only skill.
Install AmberTools/Amber from trusted sources and confirm the expected commands are available before following the workflow.