Project ID: plumID:24.026
Name: Constant pH metadynamics of RNA oligomers
Archive: https://github.com/Tomfersil/CpH-MetaD/archive/main.zip (browse)
Category: bio
Keywords: metadynamics, pH, RNA
PLUMED version: 2.9
Contributor: Giovanni Bussi
Submitted on: 31 Oct 2024
Last revised: 23 Apr 2025
Publication: T. F. D. Silva, G. Bussi, Characterizing RNA Oligomers Using Stochastic Titration Constant-pH Metadynamics Simulations. Journal of Chemical Information and Modeling. 65, 3568–3580 (2025)
PLUMED input files
| File | Compatible with |
|---|---|
| CpHMD_metaD/scripts/PLUMED_HILL.dat |   |
| CpHMD_metaD/scripts/PLUMED_GRID.dat |  |
Last tested: 28 Oct 2025, 08:57:21
Project description and instructions
Scripts to generate input files for constant pH metadynamics. A sample input file is also provided.
Click here to open manual pages for actions used in this project.
Submission history
[v1] 31 Oct 2024: original submission
[v2] 23 Apr 2025: updated doi
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