[gmx-users] Fwd: how to calculate angles (molecules directions)

Christopher Neale chris.neale at alum.utoronto.ca
Fri Feb 13 05:48:29 CET 2015


How does one compute the angle between a vector and a molecule? I think you need to define your goal more completely.

________________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Maryam Kowsar <maryam.kowsar at gmail.com>
Sent: 12 February 2015 23:45
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: [gmx-users] Fwd: how to calculate angles (molecules directions)

---------- Forwarded message ----------
From: Maryam Kowsar <maryam.kowsar at gmail.com>
Date: Fri, Feb 13, 2015 at 12:14 AM
Subject: how to calculate angles (molecules directions)
To: gromacs.org_gmx-users at maillist.sys.kth.se


Dear users,
Is there a way in GROMACS to calculate the angle of each molecule with a
specified vector in each step?
Thank you in advance.
Regards,
--Maryam
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