Forcefield and molecule toplogy

Name: Forcefield and molecule toplogy
Published: 2024-09-04T12:06:00+00:00
License: https://creativecommons.org/licenses/by/4.0/
Keywords: Molecular dynamics simulation, Electric field, Machine learning, Free energy landscape

dataset

posted on 2024-09-04, 12:06 authored by Jiang Wang, Zhiling Li

This zip file contain gromos54a7 force field and topology files for molecules studied in the research

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Related Materials

1.
DOI - Is supplement to Electric Field Modulated Configuration and Orientation of Aqueous Molecule Chains

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Keywords

Molecular dynamics simulation Electric field Machine learning Free energy landscape

Licence

CC BY 4.0