Project ID: plumID:19.062
Name: Elucidating molecular design principles for charge-alternating peptides
Archive: https://github.com/UWPRG/ek-conformation-project/raw/master/archive/ek-conformation-project-master-8.15.19.zip
Category: bio
Keywords: peptide folding, metadynamics, well-tempered ensemble, parallel tempering
PLUMED version: 2.3
Contributor: Jim Pfaendtner
Submitted on: 15 Aug 2019
Last revised: 26 Nov 2019
Publication: J. Smith, P. McMullen, Z. Yuan, J. Pfaendtner, S. Jiang, Elucidating Molecular Design Principles for Charge-Alternating Peptides, Biomacromolecules 21, 435–443 (2019)

PLUMED input files

File Compatible with
PT-WTE/plumed.dat tested on v2.6 tested on master
PTMetaD/plumed.dat tested on v2.6 tested on master
utilities/plumed.dat tested on v2.6 tested on master

Last tested: 23 Sep 2020, 15:30:29

Project description and instructions
The necessary input files to reproduce simulations and analysis are available here.

Submission history
[v1] 15 Aug 2019: original submission
[v2] 26 Nov 2019: added doi

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plumeDnest:19.062