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Re: [ESPResSo-users] On Scales
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From: |
Kai Szuttor |
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Subject: |
Re: [ESPResSo-users] On Scales |
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Date: |
Thu, 21 Jan 2016 08:50:07 +0100 |
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User-agent: |
Mozilla/5.0 (Macintosh; Intel Mac OS X 10.11; rv:38.0) Gecko/20100101 Thunderbird/38.5.1 |
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Hi,
if you have more than one Lennard-Jones interaction you would normally apply
some mixing rule,
often used are the Lorentz-Berthelot mixing rules:
sigma = (sigma_1+sigma_2)/2
epsilon = (epsilon_1*epsilon_2)^(1/2).
Which parameters you use for the reduced units is up to you, it just has to be
consistent.
Cheers,
Kai
Am 20/01/16 um 16:43 schrieb Rohit Goswami:
> How are the time, length and energy scales calculated for systems which have
> more than one Lennard-Jones interaction potential?? Is there
> a way to decide which of the interactions sets the scale for th entire system?
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