From: Mark Abraham (Mark.Abraham_at_anu.edu.au)
Date: Wed Oct 25 2006 - 19:56:15 CDT
Arturas Ziemys wrote:
> I want to calculate heat capacity (Cv) to my system according the example in the tutorial.
> There is given example of calculatib Cv in NVT. I thought that should be done in isobaric way - NPT. Can anybody shed some light onto that ?
Sure it should be done under NPT, if you want Cp.
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