Re: [AMBER] About Cv in _MMPBSA_complex_nm.out.0

--
Ray Luo, Ph.D.
Professor,
Biochemistry, Molecular Biophysics, and
Biomedical Engineering
University of California, Irvine, CA 92697-3900
On Mon, Nov 25, 2013 at 8:52 AM, 赵媛 <zhaoyuanchem.stu.xmu.edu.cn> wrote:
>
> Dear Amber Users,
>     To obtain the entropy, I used Normal Mode Analysis method (see
> http://ambermd.org/tutorials/advanced/tutorial3/py_script/section5.htm).
> Certainly, I also obtained the entropy. However, I still have a question.
> The physical quantity Cv presents in _MMPBSA_complex_nm.out.0. What's it
> represent? Is it heat capacity?
>
>  freq.         E               Cv              S
> cm**-1       kcal/mol       cal/mol-K     cal/mol-K
> Total:      19607.487       7354.095       9005.683
>
>  We are looking forward to your reply!
>
>  All the best
>
>  Yuan
>
>
> --
> Thanks for your attention!
> Best wishes!
> ================================================
> Yuan Zhao
> State Key Lab for Phys. Chem. of Solid Surf.
> & Dept. of Chem.
> Xiamen University, Xiamen 361005, CHINA
> Email: zhaoyuanchem.stu.xmu.edu.cn
> ================================================
>
>
>
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