Project ID: plumID:19.057
Name: SAXS ensembles using Martini-Beads multi-scale SAXS
Archive: https://github.com/carlocamilloni/papers-data/raw/master/zip-for-nest/2019/paissoni19diubq.zip
Category: methods
Keywords: metainference, SAXS, martini, ensemble determination, metadynamics, protein dynamics
PLUMED version: 2.5
Contributor: Cristina Paissoni
Submitted on: 03 Jul 2019
Publication: submitted

PLUMED input files

File Compatible with
plumed-main.dat tested on v2.5 tested on master

Last tested: 18 Aug 2019, 14:15:31

Project description and instructions
this is a metadynamics metainference calculation using SAXS for protein structural ensemble determination. Simulations can be run using GROMACS 2018.x and PLUMED-ISDB. This uses multiple replica simulations i.e. -multi 18

Submission history
[v1] 03 Jul 2019: original submission

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plumeDnest:19.057