Project ID: plumID:19.003
Name: EMMI ClpP
Archive: https://github.com/maxbonomi/plumed-nest-data/raw/master/projects-2018/EMMI-ClpP.zip
Category: bio
Keywords: metainference, cryo-EM
PLUMED version: 2.6-dev
Contributor: Max Bonomi
Submitted on: 13 Apr 2019
Last revised: 06 May 2019
Publication: S. Vahidi et al., Reversible inhibition of the ClpP protease via an N-terminal conformational switch, Proceedings of the National Academy of Sciences 115, E6447–E6456 (2018)

PLUMED input files

File Compatible with
EMMI-ClpP/PRODUCTION/plumed.dat tested on v2.6 tested on master

Last tested: 14 Dec 2019, 10:31:22

Project description and instructions
Metainference is used to model a conformational ensemble of the ClpP protease using a 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] 13 Apr 2019: original submission
[v2] 06 May 2019: updated description

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plumeDnest:19.003