openmm-mcp-server
3.5
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OpenMM MCP Server is a comprehensive server for molecular dynamics simulations using OpenMM and DFT calculations with Abacus, providing a natural language interface for complex molecular simulations.
create_md_simulation
Create simple MD simulations
create_dft_calculation
Create DFT calculations
control_simulation
Control simulation execution (start/stop/pause)
get_task_status
Check task status
list_all_tasks
List all tasks
analyze_results
Analyze simulation results
create_advanced_md_simulation
Full OpenMM feature support (50+ parameters)
setup_protein_simulation
Pre-configured protein simulation templates
setup_membrane_simulation
Membrane protein simulation setup