Project ID: plumID:19.072
Name: SINE hairpin MD+NMR
Archive: https://github.com/bussilab/plumed-nest-sine/archive/62b6a970ea64381bd99a99838434076cb426db9c.zip (browse)
Checksum (md5): 1fa4140eaf22defbdffc7dc59e4e2442
Category: bio
Keywords: metadynamics, RNA, NMR
PLUMED version: 2.4
Contributor: Giovanni Bussi
Submitted on: 26 Sep 2019
Last revised: 03 Apr 2022
Publication: S. Reißer, S. Zucchelli, S. Gustincich, G. Bussi, Conformational ensembles of an RNA hairpin using molecular dynamics and sparse NMR data. Nucleic Acids Research. 48, 1164–1174 (2019)

PLUMED input files

File Compatible with
plumed.0.dat tested on v2.8 tested on master
plumed.1.dat tested on v2.8 tested on master
plumed.2.dat tested on v2.8 tested on master
plumed.3.dat tested on v2.8 tested on master
plumed.4.dat tested on v2.8 tested on master
plumed.5.dat tested on v2.8 tested on master
plumed.6.dat tested on v2.8 tested on master
plumed.7.dat tested on v2.8 tested on master

Last tested: 22 Jun 2022, 17:57:39

Project description and instructions
Input files for RECT simulations with MAXENT using NMR restraints.

Submission history
[v1] 26 Sep 2019: original submission
[v2] 01 Jan 2020: added doi
[v3] 03 Apr 2022: fixed input for plumed nest (removed RESTART)

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plumeDnest:19.072