Project ID: plumID:23.008
Name: PBMetaD simulations of Histatin5
Archive: https://github.com/KULL-Centre/_2023_Pesce_Hst5/raw/main/PLUMED/plumed.zip
Category: bio
Keywords: metadynamics, IDP, Rg, PPII
PLUMED version: 2.5.0
Contributor: Francesco Pesce
Submitted on: 28 Feb 2023
Publication: F. Pesce, K. Lindorff-Larsen, Combining Experiments and Simulations to Examine the Temperature-Dependent Behavior of a Disordered Protein. The Journal of Physical Chemistry B. 127, 6277–6286 (2023)
PLUMED input files
| File | Compatible with |
|---|---|
| plumed.dat |   |
| plumed_analysis.dat | |
Last tested: 22 Apr 2024, 20:43:21
Project description and instructions
plumed.dat activates PBMetaD that biases Rg and backbone dihedrals. plumed_analysis.dat recalculates CVs and bias for each saved simulation frame.
Submission history
[v1] 28 Feb 2023: original submission
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