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Re: [ESPResSo-users] NPT and electrostatic

From: Hender Lopez
Subject: Re: [ESPResSo-users] NPT and electrostatic
Date: Thu, 14 Nov 2013 09:55:13 +0000

Dear Olaf,

Thanks a lot. I start using the current development code and see how it works.



On Thu, Nov 14, 2013 at 9:52 AM, Olaf Lenz <address@hidden> wrote:
> The DH potential did not have the pressure computation until last June,
> therefore it did not work. Meanwhile, it works. However, you should use the
> current development code of ESPResSo to get that feature.
> Have a look at the following page on how to get the development code:
> Olaf
> 2013/11/14 Hender Lopez <address@hidden>
>> Dear all,
>> I would like to run simulations using a NPT thermostat with
>> Debye-Huckel potentials. When I try it I get the following message:
>> "background_errors 0 {014 npt only works with P3M} 1 <consent> 2
>> <consent> 3 <consent>". Does any body know why the NPT thermostat
>> doesn't works with Debye-Huckel potentials? Is there any way I could
>> try to implement it my self or is there a physical reason that makes
>> DH potentials incompatibles with NPT?
>> Thanks in advance.
>> Best,
>> Hender
> --
> Dr. rer. nat. Olaf Lenz
> Institut für Computerphysik, Allmandring 3, D-70569 Stuttgart
> Phone: +49-711-685-63607

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