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: 22 Apr 2025, 10:05:32
Project description and instructions
Running the simulations requires Gromacs 2020.3, Python, and the peptidesim package. Analysis requires Python and mdtraj 1.9.4.
Click here to open manual pages for actions used in this project.
Submission history
[v1] 08 Feb 2022: original submission
[v2] 10 Feb 2022: updated files
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