[gmx-users] Lowest energy structure after production MD run
Neena Susan Eappen
neena.susaneappen at mail.utoronto.ca
Fri Apr 5 17:52:40 CEST 2019
Thank you Dr. Dallas,
I am new to gromacs, so I assumed the final structure was average after searching on google.
From: Neena Susan Eappen
Sent: Friday, April 5, 2019 2:22 AM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: [gmx-users] Lowest energy structure after production MD run
Hello gromacs users,
Since the final structure obtained after production MD run is the average structure, how to extract out the lowest energy structure?
Thank you for sharing your knowledge,
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