[gmx-users] Computing the heat capacity of protein

Malvika K malvikak91 at gmail.com
Wed Apr 12 08:40:28 CEST 2017


Dear Gromacs Users,

I have a system of a protein simulated in pure water environment. I want to
calculate the heat capacity of the protein. Using g_energy will give me the
heat capacity of the system. How do I obtain the heat capacity of the
protein alone?

I would appreciate if anybody can help.

Thanks,
Malvika


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