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Alierkn
by Alierkn

make_ndx

Create or edit GROMACS index files to define atom groups for molecular dynamics simulations.

Instructions

Create or edit a GROMACS index file with gmx make_ndx.

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
stdinNoq
outputNoindex.ndx
workdirYes
structureYes
extra_argsNo

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault

No arguments

Behavior3/5

Does the description disclose side effects, auth requirements, rate limits, or destructive behavior?

Annotations indicate the tool is not read-only, not idempotent, and not destructive. The description adds that it creates or edits an index file and uses the underlying gmx make_ndx command, but does not elaborate on behavior such as requiring stdin input, output file handling, or side effects. The behavioral disclosure is adequate but limited.

Agents need to know what a tool does to the world before calling it. Descriptions should go beyond structured annotations to explain consequences.

Conciseness4/5

Is the description appropriately sized, front-loaded, and free of redundancy?

The description is a single, concise sentence that immediately states the action. It is front-loaded and has no wasted words. However, it could be slightly more informative without losing brevity.

Shorter descriptions cost fewer tokens and are easier for agents to parse. Every sentence should earn its place.

Completeness2/5

Given the tool's complexity, does the description cover enough for an agent to succeed on first attempt?

Given the tool has 5 parameters (2 required) and complex behavior involving stdin interaction, the description is too minimal. It does not explain the necessity of stdin input, the default “q ” meaning, or the purpose of extra_args. The description is insufficient for an agent to use the tool effectively without external knowledge.

Complex tools with many parameters or behaviors need more documentation. Simple tools need less. This dimension scales expectations accordingly.

Parameters1/5

Does the description clarify parameter syntax, constraints, interactions, or defaults beyond what the schema provides?

The input schema has 0% description coverage for its 5 parameters, and the tool description does not explain any parameter meanings (e.g., structure, workdir, stdin, output, extra_args). This leaves the agent without guidance on how to set parameters correctly.

Input schemas describe structure but not intent. Descriptions should explain non-obvious parameter relationships and valid value ranges.

Purpose4/5

Does the description clearly state what the tool does and how it differs from similar tools?

The description clearly states the tool creates or edits a GROMACS index file using gmx make_ndx, specifying the verb-resource pair. While it doesn't explicitly differentiate from sibling tools, the purpose is evident and distinct from other GROMACS utilities like editconf or genion.

Agents choose between tools based on descriptions. A clear purpose with a specific verb and resource helps agents select the right tool.

Usage Guidelines2/5

Does the description explain when to use this tool, when not to, or what alternatives exist?

The description provides no guidance on when to use this tool compared to alternatives. There is no mention of prerequisites (e.g., requiring a structure file) or context. The agent receives no hints about appropriate usage scenarios or exclusions.

Agents often have multiple tools that could apply. Explicit usage guidance like "use X instead of Y when Z" prevents misuse.

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