Project ID: plumID:22.040
Name: From Closed to Open. Omicron Mutations Increase Interdomain Interactions and Reduce Epitope Exposure
Archive: https://github.com/milafternoon/plumed-spike-omicron/archive/refs/heads/main.zip
Category: bio
Keywords: SARS-CoV-2, Spike, Omicron
PLUMED version: 2.8.0
Contributor: Miłosz Wieczór
Submitted on: 11 Nov 2022
Publication: unpublished

PLUMED input files

File Compatible with
ktr-meta-omi/plumed.dat tested on v2.8 tested on master
ktr-meta-wt/plumed.dat tested on v2.8 tested on master
mw-wtmeta-omi/plumed.dat tested on v2.8 tested on master
mw-wtmeta-wt/plumed.dat tested on v2.8 tested on master

Last tested: 19 Nov 2022, 10:48:31

Project description and instructions
For space-saving reasons, starting geometries were provided only for the 1st walker (18 per system were used in total). In the mw-* directories, XXX should be replaced to the walker’s index (0-17). Code versions. PLUMED 2.8.0 and GROMACS 2021.4

Submission history
[v1] 11 Nov 2022: original submission

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plumeDnest:22.040