[Top][All Lists]

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [ESPResSo] DPD implementation in Espresso ?

From: Axel Arnold
Subject: Re: [ESPResSo] DPD implementation in Espresso ?
Date: Mon, 29 Mar 2010 10:21:53 +0200
User-agent: KMail/1.10.3 (Linux/; 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.


Dr. Axel Arnold Tel: +49 711 685 63593
ICP, Universit├Ąt Stuttgart      Email: address@hidden
Pfaffenwaldring 27
70569 Stuttgart, Germany

reply via email to

[Prev in Thread] Current Thread [Next in Thread]