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: 22 Apr 2025, 10:16:28
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.
Click here to open manual pages for actions used in this project.
Submission history
[v1] 02 Jun 2021: original submission
[v2] 06 Oct 2021: update
[v3] 03 Apr 2022: updated doi
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