Project ID: plumID:19.013
Name: RNA FF FITTING
Archive: https://github.com/bussilab/ff-fitting-tools/archive/master.zip (browse)
Category: methods
Keywords: force field, RNA
PLUMED version: 2.4
Contributor: Giovanni Bussi
Submitted on: 19 Apr 2019
Last revised: 06 May 2019
Publication: A. Cesari, S. Bottaro, K. Lindorff-Larsen, P. Banáš, J. Šponer, G. Bussi, Fitting Corrections to an RNA Force Field Using Experimental Data. Journal of Chemical Theory and Computation. 15, 3425–3431 (2019)
PLUMED input files
| File | Compatible with |
|---|---|
| apply_corrections/plumed.dat |   |
Last tested: 22 Apr 2024, 20:55:19
Project description and instructions
The zip file contains the code used to fit dihedral corrections. It also contains a PLUMED input file that can be used to apply corrections for a AAAA tetranucleotide. In order to generate corrections for RNA molecules with different sequences, one should download the script and modify it accordingly.
Submission history
[v1] 19 Apr 2019: original submission
[v2] 06 May 2019: added DOI
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