Project ID: plumID:22.006
Name: Peptide framework for screening the effects of amino acids on assembly
Archive: https://zenodo.org/record/6031047/files/inputs.zip
Category: bio
Keywords: metadynamics, peptides
PLUMED version: 2.5
Contributor: Andrew White
Submitted on: 08 Feb 2022
Last revised: 10 Feb 2022
Publication: S. Hamsici, A. D. White, H. Acar, Peptide framework for screening the effects of amino acids on assembly. Science Advances. 8 (2022)
PLUMED input files
| File | Compatible with |
|---|---|
| analysis/contacts.plumed |   |
| analysis/compute_weights.plumed |  |
| analysis/new_cvs.plumed | |
| mixed-gpu/metad.dat | |
Last tested: 18 Mar 2025, 09:54:59
Project description and instructions
Running the simulations requires Gromacs 2020.3, Python, and the peptidesim package. Analysis requires Python and mdtraj 1.9.4.
Submission history
[v1] 08 Feb 2022: original submission
[v2] 10 Feb 2022: updated files
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