Project ID: plumID:21.042
Name: Peptoid-mediated Au nanocrystal growth
Category: materials
Keywords: parallel-bias metadynamics, peptoid, Au
PLUMED version: 2.4
Contributor: Xin Qi
Submitted on: 20 Oct 2021
Publication: X. Qi et al., Into the Facet-Selectivity of Sequenced Amphiphilic Peptoids at the Au-Water Interface, (2021)

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: 30 Nov 2021, 15:06:32

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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