[AMBER] About Cv in _MMPBSA_complex_nm.out.0

From: <zhaoyuanchem.stu.xmu.edu.cn>
Date: Tue, 26 Nov 2013 00:52:23 +0800 (GMT+08:00)

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


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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Received on Mon Nov 25 2013 - 09:00:02 PST
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