Data for: "Constant pH Coarse-Grained MolecularDynamics with Stochastic Charge Neutralization - Associated Data"

Dataset

Description

This dataset contains CpHMD output of the simulations descripted in the related article with reduced file size MD trajectories. Also contained in this record is a modified version of NAMD and associated TCL scripts for performing different kinds of CpHMD as well as experimental titration data for different concentrations of oleic acid.
Date made available16 Feb 2022
PublisherUniversity of Strathclyde

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