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Re: [ESPResSo-users] Changes in the Langevin thermostat

From: Paul Peterson
Subject: Re: [ESPResSo-users] Changes in the Langevin thermostat
Date: Wed, 18 Nov 2015 17:15:16 +0100

Thanks Georg, guess that's the way. 
Then, the new gamma coefficient for a particle of mass m should be (m / gamma_OLD), right?


2015-11-18 16:17 GMT+01:00 Georg Rempfer <address@hidden>:
Hello Paul,

you might want to check out the LANGEVIN_PER_PARTICLE feature in the User's Guide.


On Wed, Nov 18, 2015 at 2:59 PM, Paul Peterson <address@hidden> wrote:
Hello everybody,

the 30 october version of the User Manual warns that the meaning of the gamma parameter for the Langevin thermostat has been changed from a relaxation time, as it used to be, to a friction coefficient. 
Can anybody tell me what is the conversion formula from old to new parameters?
Reading the paragraph, I guess the mass's particle is involved; but what if I have two types of particles with different masses?
Thanks, best


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