AMBER Archive (2003)

Subject: the unit of velocity

From: Jian Zhang (jzhang_001_at_yahoo.com.cn)
Date: Tue Jan 07 2003 - 22:36:58 CST

Dear AMBER users,
 
In the output file of Sander, does the Etot include
the energy of waters (I add some thousands of waters
around the protein)? If so, how can I get the totaly
energy of protein only, must I write programs to
analysis the topology and trajectory files of sander
myself? And What's the unit of velocity in mdvel file?

some FAQ questions, sorry.

Thank you very much!

Regards,
 
Jian Zhang

=====
Jian Zhang, Dr
Institute for Biophysics
Nanjing University
22 Hankou Road, Nanjing 210093
P. R. China
Tel: 86-25-3594476
Fax: 86-25-3595535

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