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| From: | Olaf Lenz |
| Subject: | Re: [ESPResSo] Temperature in reduced unit |
| Date: | Tue, 10 Mar 2009 08:02:08 +0100 |
| User-agent: | Thunderbird 2.0.0.19 (X11/20090105) |
Hi! Ahmad A. J. Agung wrote:
What I want to ask is, does ESPResSo do i.e. above calculation in E*= 3/2 NkT* or E*= 3/2 NT* ?Since if the first applied, I should use T*=T/epsilon.If the latter used, I should use T*= kT/epsilon and it means ESPResSo dip the k into T* inherently.
Why don't you just check, either in the source code, or by having a look at the output? After all, a factor of 10^12 might show up in the results...
Olaf
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