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[ESPResSo-users] how to run NPT simulation

From: Yonglei Wang
Subject: [ESPResSo-users] how to run NPT simulation
Date: Thu, 10 Feb 2011 18:01:18 +0100


I noticed that we can simulate NPT ensemble with this package but I checked all scripts and found there is only one npt.tcl file which is used to validate this package during installation. So I want to know how can I implement the NPT simulation in detail? I mean, if we generate all particle coordinates with very low number density, then run the NPT simulation to shrink the simulation box. How should I do fulfill this simulation?

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