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Re: [ESPResSo-users] NPT and electrostatic

From: Olaf Lenz
Subject: Re: [ESPResSo-users] NPT and electrostatic
Date: Thu, 14 Nov 2013 10:52:05 +0100

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:


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.



Dr. rer. nat. Olaf Lenz
Institut für Computerphysik, Allmandring 3, D-70569 Stuttgart
Phone: +49-711-685-63607

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