PLUMED-NEST

Project ID: plumID:24.033
Name: Transient interactions between the fuzzy coat and the cross-b core of brain-derived Ab42 filaments
Archive: https://zenodo.org/records/14354380/files/Plumed-nest.zip
Category: bio
Keywords: CryoEM, MEMMI, Metadynamics, Metainference, Ab42 Fibrils, structural ensemble
PLUMED version: 2.6
Contributor: Maria Milanesi
Submitted on: 04 Dec 2024
Publication: M. Milanesi, Z. F. Brotzakis, M. Vendruscolo, Transient interactions between the fuzzy coat and the cross-β core of brain-derived Aβ42 filaments (2024)

PLUMED input files

File	Compatible with
Plumed-nest/7q4b/plumed.dat
Plumed-nest/7q4b/plumed_analysis.dat
Plumed-nest/7q4b/plumed_error.dat
Plumed-nest/7q4b/plumed_reconstruct.dat
Plumed-nest/7q4m/plumed.dat
Plumed-nest/7q4m/plumed_analysis.dat
Plumed-nest/7q4m/plumed_error.dat
Plumed-nest/7q4m/plumed_reconstruct.dat

Last tested: 23 Apr 2025, 10:16:54

Project description and instructions
The simulations were run with PLUMED v. 2.6.0 and GROMACS 2020.5.

Submission history
[v1] 04 Dec 2024: original submission

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