Project ID: plumID:21.024
Name: Property map collective variable as a useful tool for force field correction
Archive: https://archive.materialscloud.org/record/file?record_id=1039&filename=propertymapff.zip
Category: chemistry
Keywords: molecular mechanics
PLUMED version: 2.4
Contributor: Vojtech Spiwok
Submitted on: 02 Jun 2021
Last revised: 03 Apr 2022
Publication: D. Trapl, M. Krupička, V. Višňovský, J. Hozzová, J. Ol’ha, A. Křenek, V. Spiwok, Property Map Collective Variable as a Useful Tool for a Force Field Correction. Journal of Chemical Information and Modeling. 62, 567–576 (2022)
PLUMED input files
Last tested: 17 Apr 2024, 07:25:35
Project description and instructions
All input files for MD and MTD simulations with property map force field corrections are supplied. Property map correction is introduced via plumed.dat files.
Submission history
[v1] 02 Jun 2021: original submission
[v2] 06 Oct 2021: update
[v3] 03 Apr 2022: updated doi
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