PLUMED-NEST

Project ID: plumID:25.019
Name: The Arch from the Stones. Understanding Protein Folding Energy Landscapes via Bio-inspired Collective Variables
Archive: https://github.com/valeriorizzi/FoldingFeatures/archive/main.zip (browse)
Category: bio
Keywords: protein folding, OPES, OneOPES, binding free energy
PLUMED version: 2.9.1
Contributor: Valerio Rizzi
Submitted on: 27 Jun 2025
Publication: V. Rizzi, M. Heritier, N. Piasentin, S. Aureli, F. L. Gervasio, The Arch from the Stones: Understanding Protein Folding Energy Landscapes via Bio-inspired Collective Variables (2025)

PLUMED input files

File	Compatible with
templates/template_Chignolin_OPES/a/plumed.dat
templates/template_Chignolin_OneOPES/0/plumed.dat
templates/template_Chignolin_OneOPES/1/plumed.dat
templates/template_Chignolin_OneOPES/2/plumed.dat
templates/template_Chignolin_OneOPES/3/plumed.dat
templates/template_Chignolin_OneOPES/4/plumed.dat
templates/template_Chignolin_OneOPES/5/plumed.dat
templates/template_Chignolin_OneOPES/6/plumed.dat
templates/template_Chignolin_OneOPES/7/plumed.dat
templates/template_TRPcage_OneOPES/0/plumed.dat
templates/template_TRPcage_OneOPES/1/plumed.dat
templates/template_TRPcage_OneOPES/2/plumed.dat
templates/template_TRPcage_OneOPES/3/plumed.dat
templates/template_TRPcage_OneOPES/4/plumed.dat
templates/template_TRPcage_OneOPES/5/plumed.dat
templates/template_TRPcage_OneOPES/6/plumed.dat
templates/template_TRPcage_OneOPES/7/plumed.dat

Last tested: 30 Jun 2025, 09:33:32

Project description and instructions
The simulations were run with GROMACS 2023.

Click here to open manual pages for actions used in this project.

Submission history
[v1] 27 Jun 2025: original submission

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