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Re: [ESPResSo] Implementation of full DPD algorithm in Espresso ?

From: Jacob Kirkensgaard
Subject: Re: [ESPResSo] Implementation of full DPD algorithm in Espresso ?
Date: Mon, 19 Jul 2010 10:51:41 +0200

Hi Christoph

A while ago you wrote this in reply to Marek:

>> One way is probably to use DPD thermostat together with tabulated DPD
>> potential/force but this is
>> a little bit uncomfortable solution.
> And slow....

He then did a quick fix and modified the soft-shere header to do standard 
Groot-Warren like DPD. I just did a quick test of both tabulated and this 
soft-sphere implementation and there is no speed difference - did you only mean 
slow compared to a 'real' implementation of the DPD setup or am I missing 
something, should the soft-sphere approach be quicker than the tabulated...? 


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