Evaluated heat capacities via NAMD are larger than experimental values

From: Mert Gür (gurmert_at_gmail.com)
Date: Wed Oct 26 2011 - 13:44:35 CDT

Dear all,
I evaluated the heat capacities of some proteins as given in the NAMD
tutorial. I obtained the internal energies via NAMDenergy. However,
the heat capacities I get are up to 4 times as large as experimental
It would be great if someone could tell me the reasoning behind this
or refer to a publication.

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