[AMBER] extract vdw energy

From: Yuan Ding <uscchem.gmail.com>
Date: Wed, 23 Mar 2011 17:41:33 -0700

Hi Amber users,
I'm new to Amber, and I have a question about energy extraction. Is there a
way to extract only the vdw energy of a structure and print it out in a
separate text file by ptraj? I realized the output file of minimization
includes a list of all kinds of energy, but since I have a lot of structures
to look at, I can't check the vdw energy one by one. If ptraj can't do it,
can other tools of Amber serve the same purpose?
Thank you in advance for the help!
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Received on Wed Mar 23 2011 - 18:00:04 PDT
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