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[ESPResSo] question about espresso( program is attached)

From: R . Abbasi
Subject: [ESPResSo] question about espresso( program is attached)
Date: Wed, 13 Feb 2008 10:30:49 +0330

Hello Dear,

      I study physics (MSC. Condensed matter) and my project  is about polymer.

I 'm going to do with' espresso'.

     Before do this, I have written a program to calculate osmotic pressure or free energy of confinement of a polymer chain without any charge into a cylindrical pore of diameter D.

According Flory  theorem those must be a power low  with D.

                         osmotic pressure  α  ( diameter of cylinder) ^ (-8/3)
                 free energy of confinement  α ( diameter of cylinder) ^ (-5/3)

     But my program's result is not acceptable at all. So may I ask you to help me about that?

I have attached my program and result also.

Thank you very much

Sincerely yours,


Attachment: program.tcl
Description: Tcl script

Attachment: Log(Lj01)_Log(D).eps
Description: PostScript document

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