/tools/enhanced_sampling_tutorials
enhanced_sampling_tutorials
weitse-hsu/enhanced_sampling_tutorials
summary
This repository provides Jupyter notebooks and simulation inputs for a mini course on enhanced sampling methods using GROMACS. It covers techniques such as umbrella sampling and metadynamics, which are crucial for molecular simulations and dynamics.
description
A repository providing jupyter notebooks and simulation inputs that accompany the mini course Hands-on tutorials: Advanced sampling methods using GROMACS
topics
advanced-sampling-methodsfree-energy-calculationsgromacsmolecular-dynamicsstatistical-mechanicstutorialsexpanded-ensemblesmetadynamicsreplica-exchangeumbrella-sampling
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