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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...?
Cheers,
Jacob
- Re: [ESPResSo] Implementation of full DPD algorithm in Espresso ?,
Jacob Kirkensgaard <=