Project ID: plumID:22.043
Name: Atomistic simulations of RNA tetraloop folding via expanded ensemble OPES
Archive: https://github.com/gzerze/rna_opes_example_input/raw/main/290_525.zip
Category: bio
Keywords: OPES, RNA, Tetraloop, Folding
PLUMED version: 2.8
Contributor: Gül Zerze
Submitted on: 21 Dec 2022
Publication: K. Rahimi, P. M. Piaggi, G. H. Zerze, Comparison of On-the-Fly Probability Enhanced Sampling and Parallel Tempering Combined with Metadynamics for Atomistic Simulations of RNA Tetraloop Folding. The Journal of Physical Chemistry B. 127, 4722–4732 (2023)
PLUMED input files
| File | Compatible with |
|---|---|
| 290_525/0/plumed.dat |   |
| 290_525/1/plumed.dat | |
| 290_525/2/plumed.dat | |
| 290_525/3/plumed.dat | |
| 290_525/4/plumed.dat | |
| 290_525/5/plumed.dat | |
| 290_525/6/plumed.dat | |
| 290_525/7/plumed.dat | |
Last tested: 22 Apr 2024, 20:45:08
Project description and instructions
This is a multiple walkers simulation. Please refer to the README file for further instructions on how to submit a job with these input files (with GMX-2020.5).
Submission history
[v1] 21 Dec 2022: original submission
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