Project ID: plumID:21.016
Name: MD SAXS GTPase associated center
Archive: https://github.com/bussilab/saxs-md-gac/archive/24f5aa860bf1b3c6eb2062a5137999dba082561d.zip (browse)
Category: bio
Keywords: metadynamics, RNA, folding, SAXS
PLUMED version: 2.5
Contributor: Giovanni Bussi
Submitted on: 19 Apr 2021
Last revised: 03 Apr 2022
Publication: M. Bernetti, K. B. Hall, G. Bussi, Reweighting of molecular simulations with explicit-solvent SAXS restraints elucidates ion-dependent RNA ensembles. Nucleic Acids Research. 49, e84–e84 (2021)

PLUMED input files

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

Last tested: 22 Jun 2022, 17:39:38

Project description and instructions
The included input file has been adapted to be compatible with v2.7. In particular, SAXS components are labeled as saxs_bias.q-0 instead of saxs_bias.q_0.

Submission history
[v1] 19 Apr 2021: original submission
[v2] 14 Jun 2021: added DOI
[v3] 03 Apr 2022: fixed input for plumed 2.8

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plumeDnest:21.016