AC gromacs-skills
GROMACS 分子动力学模拟软件命令参考。当 Agent 需要执行 GROMACS 命令但不清楚用法时调用。功能覆盖：(1) 拓扑与结构处理 - pdb2gmx、editconf、solvate、insert-molecules、genrestr；(2) 模拟设置与运行 - grompp、mdrun；(3) 轨迹处理 - trjconv（PBC修正、格式转换）、trjcat（轨迹拼接）；(4) 能量分析 - energy、eneconv、bar；(5) 轨迹分析 - rms、rmsf、gyrate、hbond、distance、angle、dihedral、sasa、cluster、mindist；(6) 结构分析 - covar、anaeig（PCA）、mdmat、sham（FEL）；(7) 索引与选择 - make_ndx、select、genion；(8) 工具 - xpm2ps、check、wham。强调优先使用 gmx <command> -h 查看本地帮助。
As a process C 55/100 · Has gaps — weak spots: result and completion, when it triggers, inputs and preconditions
How to improve
- Say in the description WHEN to use the skill ("use when…", example requests): that is the agent's main cue.
- Your own cases (evals/evals.json, 4–6 real requests with expected answers): the full check would then run those instead of a model-drafted suite.
- A spec.yaml with trigger phrases and assertions — a behaviour contract for CI; `skilltest init` writes a template.
Guard findings · 0
✓ No critical or high findings
Files scanned: 4. Evidence is masked. Grey chips explain why severity was lowered.
Against the Agent Skills spec
- warning
description-no-whendescription does not say WHEN to use the skill (no "use when")
Process rating: all ten parameters 55/100
- 0Result and completion. Does not say what the result is
- 0Inputs and preconditions. Does not say what the process needs to start
- 0Failures and branches. Linear process with no failure handling
- 20When it triggers. No condition that starts the skill
- 100Tools and files. No external tools needed
- 100Steps. 27 steps
- 100Consistency. Name and required fields are in place
- 100Execution cost. Instruction body is 1179 tokens
- 100Running it twice. No mutating operations
- 100Progress reporting. Reports progress
- low 13 top-level sections: this looks like several domains in one skill
Everything here is measured from the skill text rather than judged by a model, so the numbers are checkable. A parameter weighs more when it is a more common reason for the process to stall.
Quality signals
- +5Description has no quoted example phrases that should trigger the skill
- +4Description does not say when NOT to use the skill (false activations)
- +3Output format is not stated: the model decides each time
- +1No license
- +2Single-language instructions
- +3Description length 442: enough signal without eating the budget
- +4Structure: 24 headings
- +3Step-by-step instructions: 27 items
- +4Has examples (9 code blocks)
- +4Reference files are cited in the instructions (2 of 2)
Quality base 70; lint remarks subtract, signals add up to 100. Result: 76.