Project ID: plumID:22.026
Name: Designing Sequence-Defined Peptoids for Fibrillar Self-Assembly and Silicification
Archive: https://github.com/UWPRG/PRGNESTS/raw/main/Silica_peptoid_PB/Silica_peptoid_PB.zip
Category: materials
Keywords: Peptoid, silica
PLUMED version: 2.5
Contributor: Jim Pfaendtner
Submitted on: 03 Jun 2022
Publication: unpublished

PLUMED input files

File Compatible with
Silica_peptoid_PB/mix/plumed.dat tested on v2.8 tested on master
Silica_peptoid_PB/nae/plumed.dat tested on v2.8 tested on master
Silica_peptoid_PB/nce/plumed.dat tested on v2.8 tested on master
Silica_peptoid_PB/ncp/plumed.dat tested on v2.8 tested on master

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

Project description and instructions
Peptoid binding free energy to silica surfaces were calculated with GROMACS using the codes in the URL. All files needed to reproduce the results are included, such as configuration, .mdp, .itp, and plumed.dat.

Submission history
[v1] 03 Jun 2022: original submission

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plumeDnest:22.026