genesis

Description

genesis website

GENESIS (GENeralized-Ensemble SImulation System) has been developed mainly by Sugita group in RIKEN, (Computational Biophysics Research Team (R-CCS), Theoretical Molecular Science Laboratory (CPR), and Laboratory for Biomolecular Function Simulation (BDR)) since 2009. Using GENESIS, molecular dynamics simulation and modeling of various biomolecular systems are possible with high performance. Multi-scale simulations with atomistic, coarse-grained, and QM/MM models are available together with enhanced sampling methods and other advanced simulation techniques.

Environment Modules

Run module spider genesis to find out what environment modules are available for this application.

Environment Variables

• HPC_GENESIS_DIR - installation directory
• HPC_GENESIS_BIN - executable program directory

Categories

Physics