|Subject:||Re: [ESPResSo] question about espresso( program is attached)|
|Date:||Thu, 14 Feb 2008 15:03:17 -0500|
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
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