[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.
Gromacs Users mailing list

* Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.

More information about the gromacs.org_gmx-users mailing list