[gmx-users] intrinsic viscosity

[David van der Spoel]

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.
>
> 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.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se