Project ID: plumID:26.015
Name: Ensemble Dynamics
Archive: https://github.com/Flofega/EnsembleDynamicsPaper/raw/main/plumednest.zip
Category: methods
Keywords: State Exploration, Protein Folding, Drug Binding, Phase Transition
PLUMED version: 2.10
Contributor: Florian M. Dietrich
Submitted on: 26 Oct 2026
Publication: F. M. Dietrich, M. Parrinello, A Principled Approach to Enhanced Sampling. doi: 10.26434/chemrxiv.15005686/v1 (2026)
PLUMED input files
| File | Compatible with |
|---|---|
| plumed_ala.dat |    |
| plumed_cal.dat | |
| plumed_chi.dat | |
| plumed_sod.dat | |
| plumed_trp.dat | |
Last tested: 27 Oct 2026, 10:52:25
Project description and instructions
The enhanced sampling simulations were performed using Plumed 2.10, gromacs 2024.4, lammps 22 July 2025 The plumed inputs require addtional functionalities developed for this publications. All the extra functions and modified source files are ready to be compiled with plumed mklib.
Click here to open manual pages for actions used in this project.
Submission history
[v1] 26 Oct 2026:
Badge
Click on the image below and get the code to add the badge to your website!
