Project ID: plumID:22.020
Name: Refining the RNA Force Field with Small-Angle X-ray Scattering of Helix–Junction–Helix RNA
Archive: https://gitlab.com/KirmizialtinLab/hb_cufix/-/raw/main/plumed_analysis.zip
Category: bio
Keywords: RNA force field, Helix-Junction-Helix RNA, SAXS, Well tempered metadynamics
PLUMED version: 2.4
Contributor: Weiwei He
Submitted on: 13 Apr 2022
Publication: W. He, N. Naleem, D. Kleiman, S. Kirmizialtin, Refining the RNA Force Field with Small-Angle X-ray Scattering of Helix–Junction–Helix RNA. The Journal of Physical Chemistry Letters. 13, 3400–3408 (2022)

PLUMED input files

File Compatible with
FES/plumed.dat tested on v2.8 tested on master

Last tested: 19 Nov 2022, 10:48:38

Project description and instructions
The input files can be used to generate free energy profiles in the manuscript. GROMACS 5.0.5 package was used for MD simulations. For more information about the HB-CUFIX, please have a look here.

Submission history
[v1] 13 Apr 2022: original submission

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plumeDnest:22.020