Development version of plumed 2
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Updated
Sep 22, 2024 - C++
Development version of plumed 2
A small tutorial for using plumed benchmark
Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desmond.
Simulate interactions between two fully-charged PAA chains with varying amounts of CaCl2 added
Permutationally invariant networks for enhanced sampling (PINES)
A package that allows you to read COLVAR output from Plumed and access data
Fast estimation of ion-pairing for screening electrolytes
Run metadynamics simulations and analyse free energy surfaces
Additional plumed plugins
Using supervised machine learning to build collective variables for accelerated sampling
Using neural networks for enhanced sampling in computational biophysics
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