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

[Limbach, Hans Joerg, LAUSANNE, Food Materials]

Hi,

 

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

Hanjo

 

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,



Svelarde