[gmx-users] g_sorient to ethanol

Berk Hess gmx3 at hotmail.com
Wed Jan 31 13:39:36 CET 2007

>From: "Eudes Fileti" <fileti at ufabc.edu.br>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: gmx-users at gromacs.org
>Subject: [gmx-users] g_sorient to ethanol
>Date: Wed, 31 Jan 2007 10:24:59 -0200
>Good ideia Dr Hess!
>Only more thing. I would have to rerun the simulation to make the C
>atoms of ethanol 1 and 2 (since my C atoms have index 1 and 5)?
>Or there is another more practical way of change the index of atoms?

Then you make an index group as such:
1 5 5 10 14 14 etc.
(if your ethanol has 9 atoms)


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