[gmx-users] Measuring bond distances, angles and dihedrals

[Smith, Micholas D.]

Gmx chi I believe gives the dihedral information. Distances can be obtained from gmx mindist

-Micholas

-----Original Message-----
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> On Behalf Of Yu Du
Sent: Friday, April 17, 2020 5:32 AM
To: gmx-users at gromacs.org
Subject: [EXTERNAL] Re: [gmx-users] Measuring bond distances, angles and dihedrals

Hi Robert,

Yes, I always use VMD Tcl scripts to analyse trajectories after MD simulation. The bond distances and angles between atom cluster centroids can definitely be extracted by VMD.  But I don't know how to extract them using GROMACS. If your project is not so urgent, VMD is your choice. It is fairly flexible and can almost satisfy all your requirements.

Cheers,
Yu
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