AMBER Archive (2007)

Subject: AMBER: how to calculate energy of the peptide

From: priya priya (priyaanand_27_at_yahoo.co.in)
Date: Mon Jun 25 2007 - 08:56:54 CDT

hi all,

I am interesting in calculating the energy of the peptide solvated in TIP3P water box (only peptide conformation energy and not including the terms for water molecules), as the output file specify the total energy of the system.
Thanks for the help

Regards

                                 
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