We use cookies to distinguish you from other users and to provide you with a better experience on our websites.Close this message to accept cookies or find out how to manage your cookie settings.
Learn more about our Privacy Notice...
[opens in a new tab]
Massively Parallel Implementation of Steered Molecular Dynamics in Tinker-HP: Comparisons of Polarizable and Non-Polarizable Simulations of Realistic Systems
This content is an early or alternative research output and has not been peer-reviewed by Cambridge University Press at the time of posting.
Abstract
This paper is dedicated to the massively parallel implementation of Steered Molecular Dynamics in the Tinker-HP softwtare. It allows for direct comparisons of polarizable and non-polarizable simulations of realistic systems.