[gmx-users] how can I obtain the potential energy of each atom？

[Sotirios Dionysios I. Papadatos]

Did you try a script that calls gmx energy in each iteration, parsing the index of each atom as an input???

________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of zk_dlut <zk_dlut at mail.dlut.edu.cn>
Sent: Monday, April 22, 2019 10:49:25 AM
To: gmx-users at gromacs.org
Subject: [gmx-users] how can I obtain the potential energy of each atom？

Hi,
I want to extract the potential energy of each atom. Unfortunately, gmx_energy don't provide the potential energy of each.
So,how can I obtain the potential energy of each atom ? Thanks!


Best regards,

Ke

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