On the Behavior of the Ethylene Glycol Components of Polydisperse Polyethylene Glycol PEG200

Autor:	Markus M. Hoffmann, Matthew D. Too, Nathaniel A. Paddock, Robin Horstmann, Sebastian Kloth, Michael Vogel, Gerd Buntkowsky
Rok vydání:	2023
Předmět:	python scripts bash scripts polyethylene glycol Materials Chemistry MD simulation Physical and Theoretical Chemistry Surfaces Coatings and Films
Popis:	Files needed for molecular simulation using GROMACS (top, gro, itp files) of polyethylene glycol (PEG200) Bash and python scripts to analyze obtained simulation trajectories
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5901106a950b9e8c74f80f5a3cef59c8 https://zenodo.org/record/7540727 Zobrazit plný text záznamu