Project ID: plumID:23.000
Name: Atomistic simulations of RNA tetraloop folding via PTWTE-WTM
Archive: https://github.com/gzerze/rna_ptwte_wtm_example_input/raw/main/plumed.zip
Category: bio
Keywords: parallel tempering, well-tempered metadynamics, well-tempered ensemble, RNA, Tetraloop, Folding
PLUMED version: 2.3.1
Contributor: Gül Zerze
Submitted on: 04 Jan 2023
Publication: G. H. Zerze, P. M. Piaggi, P. G. Debenedetti, A Computational Study of RNA Tetraloop Thermodynamics, Including Misfolded States. The Journal of Physical Chemistry B. 125, 13685–13695 (2021)

PLUMED input files

File Compatible with
plumed_PT.0.dat tested on v2.8 tested on master
plumed_PT.1.dat tested on v2.8 tested on master
plumed_PT.10.dat tested on v2.8 tested on master
plumed_PT.11.dat tested on v2.8 tested on master
plumed_PT.12.dat tested on v2.8 tested on master
plumed_PT.13.dat tested on v2.8 tested on master
plumed_PT.2.dat tested on v2.8 tested on master
plumed_PT.3.dat tested on v2.8 tested on master
plumed_PT.4.dat tested on v2.8 tested on master
plumed_PT.5.dat tested on v2.8 tested on master
plumed_PT.6.dat tested on v2.8 tested on master
plumed_PT.7.dat tested on v2.8 tested on master
plumed_PT.8.dat tested on v2.8 tested on master
plumed_PT.9.dat tested on v2.8 tested on master

Last tested: 20 Jan 2023, 09:13:41

Project description and instructions
Originally used with GROMACS version 2016.3.

Submission history
[v1] 04 Jan 2023: original submission

Badge
Click on the image below and get the code to add the badge to your website!
plumeDnest:23.000