[gmx-users] stochastic thermostat
gmx3 at hotmail.com
Tue Feb 7 14:07:53 CET 2006
>From: "Dmitry Nerukh" <dn232 at cam.ac.uk>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: <gmx-users at gromacs.org>
>Subject: [gmx-users] stochastic thermostat
>Date: Tue, 7 Feb 2006 11:56:17 -0000
>Dear gromacs developers,
>Can you, please, describe the steps for running a normal molecular dynamics
>with a stochastic thermostat? I have a very simple system - just 2 waters
>in vacuum. I've tried setting the integrator to 'sd' and 'tau_t' to 0.
>integration failed. Is it possible to have a stochastic dynamics with the
>velocity friction term set to 0?
The random and friction forces are linked by the fluctuation-dissipation
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