A parallel algorithm of F3/F4 order parameters for molecular dynamics

A program for calculating F3 and F4 order parameters of water molecules, can be used in ICE, hydrate system.

Bibliographic Details
Main Author: Yujie Liu
Format: Article in Journal/Newspaper
Language:unknown
Published: Zenodo 2021
Subjects:
GROMACS
Molecular Dynamics
Lammps
Order parameters
methane hydrate
Methane hydrate
Online Access:https://dx.doi.org/10.5281/zenodo.5837959
https://zenodo.org/record/5837959
Description
Summary:A program for calculating F3 and F4 order parameters of water molecules, can be used in ICE, hydrate system.

Similar Items