[gmx-users] g_dist

Justin A. Lemkul jalemkul at vt.edu
Wed Jun 18 18:17:05 CEST 2008

Quoting shahrbanoo karbalaee <shahrbanoo at gmail.com>:

> Dear Mark
> I want to calculate distance ca_ca  from the third residue to the
> ninth residue during MD .but i dont know identify in command number of
> residue.

Create an index group with those elements in it.

> g_dist  -f name.xtc  -s topol.tpr  -b 0 -e 20  -dt 0.002
> and the second, can i get average distance  by  a command.

Use g_analyze on the output of g_dist.


> thanks for your advice
> --
> sh-karbalaee
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080


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