sk Skill · Hello-QM
packmol
Generate initial configurations for molecular simulations using Packmol. Build liquid boxes, mixtures, solutions, and solvated systems by packing molecules into a defined region.
Open on skills.sh ↗read 2026-09-15
- installs 8w
- 0
- 30-day movement
- starts with the next reading
- Related entries
- 1
- Connections
- 0
bash
- Host repository
- Hello-QM/catgo-LRG
- Compatible with
- Requires Packmol installed (apt install packmol or compiled from source). Input molecules must be in PDB or XYZ format.
- Host stars
- 199