On 3/8/10 11:44 PM, Mark Abraham wrote:
----- Original Message -----
From: [email protected]
Date: Tuesday, March 9, 2010 0:12
Subject: [gmx-users] intrinsic viscosity
To: [email protected]
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.
Mark
I don't see any g_viscosity, but check g_energy -vis and read
@Article{ Hess2002b,
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.
[email protected] [email protected] http://folding.bmc.uu.se
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