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 |   |
| plumed.1.dat | |
| plumed.2.dat | |
| plumed.3.dat | |
| plumed.4.dat | |
| plumed.5.dat | |
| plumed.6.dat | |
| plumed.7.dat | |
Last tested: 14 Dec 2024, 09:41:35
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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