Hi, 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.
Berk > From: [email protected] > To: [email protected] > 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: [email protected] > cell: 206-850-7468 > skype=aroberts92122 > > > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php
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