[gmx-users] intrinsic viscosity
David van der Spoel
spoel at xray.bmc.uu.se
Tue Mar 9 08:32:55 CET 2010
On 3/8/10 11:44 PM, Mark Abraham wrote:
> ----- Original Message -----
> From: cesteban at unsl.edu.ar
> Date: Tuesday, March 9, 2010 0:12
> Subject: [gmx-users] intrinsic viscosity
> To: gmx-users at gromacs.org
>> Hi All:
>> I am using Gromacs 4.0.2 for the MD simulation of carbohydrates
>> and I am
>> trying to compute the intrinsic viscosity of them.
> Please update your GROMACS version. There have been many significant fixes since then.
>> Can I have it whith same gromacs programs?
>> Sameone has experience about this?
> Maybe. It might help if you can define "intrinsic viscosity", and check out what g_viscosity can already do - see manual.
I don't see any g_viscosity, but check g_energy -vis and read
author = "B. Hess",
title = "Determining the shear viscosity of model liquids
from molecular simulation",
journal = "J. Chem. Phys.",
year = 2002,
volume = 116,
pages = "209-217"
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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