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RE: [ESPResSo-users] NPT Isotropic with P3M activated

From: Limbach, Hans Joerg, LAUSANNE, Food Materials
Subject: RE: [ESPResSo-users] NPT Isotropic with P3M activated
Date: Wed, 23 Feb 2011 08:02:39 +0100



No (P3M works only with cubic boxes x=y=z!)



From: address@hidden [mailto:address@hidden On Behalf Of Salvador H-V
Sent: mardi 22 février 2011 23:12
To: address@hidden
Subject: [ESPResSo-users] NPT Isotropic with P3M activated


Dear all,

Could anyone give me a hint, please. If it ia possible in the current
version of Espresso to perform a NPT simulation with one or two
dimensions of the box being fixed and using electrostatics with P3M activated?

Many thanks in advance,


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