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Re: [ESPResSo-users] Sistematically decreasing of Temperature with DPD t


From: Christoph Junghans
Subject: Re: [ESPResSo-users] Sistematically decreasing of Temperature with DPD thermostat
Date: Wed, 15 Jan 2014 09:51:03 -0700

2014/1/15 Stefan Kesselheim <address@hidden>:
> Hi,
> Christoph, do you know if our RATTLE works?
The last time I used it, which is about 4 years ago, it worked!

> Stefan
>
> will lead to the wrong temperature of the system. You could test
>> that by increasing the DPD cutoff and/or excluding DPD interactions
>> between the dumbbells using inter_dpd instead (I don't remember if the
>> thermostat DPD respect exclusions.)
>>
>> Christoph
>>>
>>> Cheers
>>> Stefan
>>>
>>>
>>>
>>
>>
>>
>> --
>> Christoph Junghans
>> Web: http://www.compphys.de
>
>



-- 
Christoph Junghans
Web: http://www.compphys.de



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