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 tested on v2.9 tested on master
290_525/1/plumed.dat tested on v2.9 tested on master
290_525/2/plumed.dat tested on v2.9 tested on master
290_525/3/plumed.dat tested on v2.9 tested on master
290_525/4/plumed.dat tested on v2.9 tested on master
290_525/5/plumed.dat tested on v2.9 tested on master
290_525/6/plumed.dat tested on v2.9 tested on master
290_525/7/plumed.dat tested on v2.9 tested on master

Last tested: 28 Feb 2024, 06:49:59

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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plumeDnest:22.043