[gmx-users] Lowest energy structure after production MD run

[Neena Susan Eappen]

Thank you Dr. Dallas,

I am new to gromacs, so I assumed the final structure was average after searching on google.

Neena




________________________________
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,
Neena