PLUMED-NEST

Project ID: plumID:23.015
Name: MPCs aggregation
Archive: https://github.com/vikast282/MPCs_aggregation/raw/main/MPCs_aggregation-main.zip
Category: bio
Keywords: opes_explore, dimerization, MPCs, self-assembly
PLUMED version: 2.8
Contributor: Vikas Tiwari
Submitted on: 09 Apr 2023
Publication: V. Tiwari, T. Karmakar, Understanding Molecular Aggregation of Ligand-Protected Atomically-Precise Metal Nanoclusters. The Journal of Physical Chemistry Letters. 14, 6686–6694 (2023)

PLUMED input files

File	Compatible with
OPEX_and_METAD/github_metad_0d/plumed.dat
OPEX_and_METAD/github_metad_100d/plumed.dat
OPEX_and_METAD/github_opex_0d/plumed.dat
OPEX_and_METAD/github_opex_100d/plumed.dat
OPEX_and_METAD/github_opex_25d/plumed.dat
OPEX_and_METAD/github_opex_50d/plumed.dat
OPEX_and_METAD/github_opex_75d/plumed.dat
OPEX_and_METAD/github_opex_80d/plumed.dat

Last tested: 22 Apr 2024, 20:43:04

Project description and instructions
Input files are prepared in gromacs version 2021.4 and plumed2 version 2.8.0.

Submission history
[v1] 09 Apr 2023: original submission

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