Project ID: plumID:21.042
Name: Peptoid-mediated Au nanocrystal growth
Archive: https://github.com/xinqiz/peptoid_au/raw/main/Peptoid_Au.zip
Category: materials
Keywords: parallel-bias metadynamics, peptoid, Au
PLUMED version: 2.4
Contributor: Xin Qi
Submitted on: 20 Oct 2021
Publication: B. Jin, F. Yan, X. Qi, B. Cai, J. Tao, X. Fu, S. Tan, P. Zhang, J. Pfaendtner, N. Y. Naser, F. Baneyx, X. Zhang, J. J. DeYoreo, C. Chen, Peptoid‐Directed Formation of Five‐Fold Twinned Au Nanostars through Particle Attachment and Facet Stabilization. Angewandte Chemie. 134 (2022)

PLUMED input files

File Compatible with
Plumed_nest/plumed_Nce3Ncp6_Au100.dat tested on v2.8 tested on master
Plumed_nest/plumed_Nce3Ncp6_Au111.dat tested on v2.8 tested on master
Plumed_nest/plumed_Nce6Ncp6_Au100.dat tested on v2.8 tested on master
Plumed_nest/plumed_Nce6Ncp6_Au111.dat tested on v2.8 tested on master

Last tested: 19 Nov 2022, 10:49:15

Project description and instructions
These files can be used with GROMACS 5.1 and PLUMED 2.4 to reproduce the results.

Submission history
[v1] 20 Oct 2021: original submission

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plumeDnest:21.042