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Re: [ESPResSo] Units of Temperature
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From: |
Axel Arnold |
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Subject: |
Re: [ESPResSo] Units of Temperature |
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Date: |
Tue, 22 Jun 2010 16:06:35 +0200 |
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User-agent: |
KMail/1.10.3 (Linux/2.6.27.45-0.1-default; KDE/4.1.3; x86_64; ; ) |
On Monday 21 June 2010 19:10:35 Mikheil Azatov wrote:
> Hi,
>
> I am using Langevin thermostat and I was wondering what are the units of
> temperature there. Is it actual temperature or kT ?
The temperature is the reduced temperature, that is kT in multiples of the
energy scale you choose for your simulation. If you for example have a LJ
system with epsilon set to 1, then the minimum depth of the LJ potential is
the energy scale, and a temperature of 1.2 means that kT is 1.2-times the
depth of the LJ potential.
Axel
--
JP Dr. Axel Arnold Tel: +49 711 685 67609
ICP, Universität Stuttgart Email: address@hidden
Pfaffenwaldring 27
70569 Stuttgart, Germany