ms_forcite
Run Forcite molecular simulations—energy, geometry optimization, or dynamics—on input documents within the MS-MCP workspace.
Instructions
Run a Forcite task on an input document located under the MS-MCP work root.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| task | No | Energy | |
| cores | No | ||
| dryRun | No | ||
| project | No | ||
| settings | No | ||
| confirmToken | No | ||
| inputDocument | Yes |