II.
LibrarySkill overview
Reference · livelib-skill:physics--gromacs-biosim-runner
gromacs-biosim-runner overview
GROMACS molecular dynamics skill specialized for biomolecular systems, protein simulations, and free energy calculations
Attributes
displayName
gromacs-biosim-runner
description
GROMACS molecular dynamics skill specialized for biomolecular systems, protein simulations, and free energy calculations
libraryPath
library/specializations/domains/science/physics/skills/gromacs-biosim-runner/SKILL.md
specialization
physics
contentSummary
# GROMACS Biosim Runner Skill
## Purpose
Provide specialized integration with GROMACS for biomolecular simulations including protein dynamics, free energy calculations, and enhanced sampling methods.
## Capabilities
- Topology preparation and solvation
- Energy minimization workflows
- NPT
Outgoing edges
lib_applies_to_domain1
- domain:physics·DomainPhysics
lib_belongs_to_specialization1
- specialization:physics·SpecializationPhysics
lib_implements_workflow2
- workflow:experiment-design·WorkflowExperiment Design
- workflow:peer-review-cycle·WorkflowPeer Review Cycle
lib_involves_role2
- role:computational-scientist·RoleComputational Scientist
- role:research-engineer·RoleResearch Engineer
lib_requires_skill_area3
- skill-area:physics-simulation·SkillAreaPhysics Simulation
- skill-area:mathematical-reasoning·SkillAreaMathematical Reasoning
- skill-area:statistical-analysis·SkillAreaStatistical Analysis
Incoming edges
None.