Project ID: plumID:19.002
Category: bio
Keywords: metainference, cryo-EM
PLUMED version: 2.6-dev
Contributor: Max Bonomi
Submitted on: 11 Apr 2019
Last revised: 06 May 2019
Publication: M. Bonomi, R. Pellarin, M. Vendruscolo, Simultaneous Determination of Protein Structure and Dynamics Using Cryo-Electron Microscopy. Biophysical Journal. 114, 1604–1613 (2018)

PLUMED input files

File Compatible with
EMMI-STRA6/PRODUCTION/plumed.dat tested on v2.9 tested on master

Last tested: 18 Jun 2024, 14:34:48

Project description and instructions
Metainference is used to model a conformational ensemble of the STRA6 membrane receptor using a 3.9-Ang-resolution cryo-EM density map. The archive contains the GROMACS input files (SETUP directory, GROMACS v. 4.5.7), along with the PLUMED input files (PRODUCTION directory). These files have been updated to work with PLUMED version > 2.5.

Submission history
[v1] 11 Apr 2019: original submission
[v2] 06 May 2019: updated description

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