Project ID: plumID:21.016
Name: MD SAXS GTPase associated center
Archive: https://github.com/bussilab/saxs-md-gac/archive/4730a41d1f8ef3ee7b35a279ea16ca770db1cdaa.zip (browse)
Category: bio
Keywords: metadynamics, RNA, folding, SAXS
PLUMED version: 2.5
Contributor: Giovanni Bussi
Submitted on: 19 Apr 2021
Last revised: 14 Jun 2021
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: 30 Nov 2021, 15:19:51

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

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plumeDnest:21.016