From: "Eudes Fileti" <[EMAIL PROTECTED]>
Reply-To: Discussion list for GROMACS users <[email protected]>
To: [email protected]
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)
Berk.
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