PLUMED-NEST-TEST-SITE

Project ID: plumID:22.000
Name: Amyloid precursor protein processing by human γ-secretase
Archive: https://github.com/Xiaoli-Lu/APP-PS1/raw/master/plumed-nest-data/APP-PS1_BEMD.zip
Category: bio
Keywords: Bias Exchange Metadynamics, Helix unfolding, coupled binding
PLUMED version: 2.5
Contributor: Xiaoli Lu
Submitted on: 01 Jan 2022
Publication: X. Lu, J. Huang, A thermodynamic investigation of amyloid precursor protein processing by human γ-secretase. Communications Biology. 5 (2022)

PLUMED input files

File	Compatible with
plumed-1.0.dat
plumed-1.1.dat
plumed-1.2.dat
plumed-1.3.dat
plumed-1.4.dat
plumed-1.5.dat
plumed-1.6.dat
plumed-1.7.dat
plumed-2.0.dat
plumed-2.1.dat
plumed-2.2.dat
plumed-2.3.dat
plumed-3.0.dat
plumed-3.1.dat
plumed-3.2.dat
plumed-common-1.dat
plumed-common-2.dat
plumed-common-3.dat

Last tested: 22 Apr 2025, 10:02:43

Project description and instructions
Input files for BEMD simulations. Simulations were performed with GROMACS 2018 and PLUMED 2.5. Example .mdp files provided in the archive.

Click here to open manual pages for actions used in this project.

Submission history
[v1] 01 Jan 2022: original submission

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