[gmx-users] Is there a way to calculate the hydrodynamic radius using GROMACS?

Berk Hess gmx3 at hotmail.com
Thu Aug 19 08:54:15 CEST 2010


There might be a way to do this with Gromacs.
But I would think a protein is simply a volume (maybe with one attached water layer)
for which there is a simple approximation for the hydrodynamic radius in hydrodynamics.


> From: aroberts99163 at yahoo.com
> To: gmx-users at gromacs.org
> Date: Wed, 18 Aug 2010 14:25:26 -0700
> Subject: [gmx-users] Is there a way to calculate the hydrodynamic radius	using GROMACS?
> Hi, all,
> I was curious, if there is a way to calculate the hydrodynamic radius  
> of a protein using GROMACS?
> Much appreciated,
> Art
> Dr. Arthur Roberts, Ph.D.
> University of California, San Diego
> Skaggs School of Pharmacy and Pharmaceutical Sciences
> 9500 Gilman Drive #0703
> La Jolla, CA 92093-0703
> email: aroberts99163 at yahoo.com
> cell: 206-850-7468
> skype=aroberts92122
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