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Re: [ESPResSo] DPD implementation in Espresso ?
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From: |
Axel Arnold |
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Subject: |
Re: [ESPResSo] DPD implementation in Espresso ? |
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Date: |
Mon, 29 Mar 2010 10:21:53 +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 Friday 26 March 2010 23:50:13 Marek Maly wrote:
> Dear Sirs,
>
> It seems to me that in Espresso is not implemented full DPD algorithm but
> just
> DPD thermostat (pairwise RANDOM and DISSIPATIVE forces).
>
> The soft conservative DPD force/potential (please see attached article) is
> unfortunately not implemented.
> Am I right ?
As far as I can see, that is a kind of 0,-1 LJ-potential, no? So you can just
use the ljgen potential.
Axel
--
Dr. Axel Arnold Tel: +49 711 685 63593
ICP, Universität Stuttgart Email: address@hidden
Pfaffenwaldring 27
70569 Stuttgart, Germany
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