[gmx-users] How to get angle distribution between two tyrosine stacking residues

Oliver Grant olivercgrant at gmail.com
Tue May 17 18:19:35 CEST 2011

g_sgangle will do this for you. You're lucky your rings are planar ;)


On 17 May 2011 16:34, <chris.neale at utoronto.ca> wrote:

> 1. Determine some mathematical calculation that you want to apply to some
> atoms.
> 2. make a .ndx group that includes all of those atoms
> 3. Run g_traj -ox to output the coordinates of those atoms
> 4. Apply your mathematical calculation using awk.
> -- original message --
> Can anyone tell how to calculate the normal-normal angle between two
> stacking tyrosine residues as a function of time.
> --
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