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Re: [ESPResSo] Units of Temperature

From: Axel Arnold
Subject: Re: [ESPResSo] Units of Temperature
Date: Tue, 22 Jun 2010 16:06:35 +0200
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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. 


JP Dr. Axel Arnold Tel: +49 711 685 67609
ICP, Universit├Ąt Stuttgart      Email: address@hidden
Pfaffenwaldring 27
70569 Stuttgart, Germany

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