AMBER Archive (2009)

Subject: Re: [AMBER] change in protein ligand order

From: Hannes Wallnoefer (Hannes.Wallnoefer_at_uibk.ac.at)
Date: Tue Mar 24 2009 - 07:38:18 CDT

Thanks Hannes, but beacuse of the complexity of the script this is not an
option.
Best greetings from Innsbruck ;-),
Hannes

Zitat von Hannes Loeffler <hannes.loeffler_at_stfc.ac.uk>:

> I am not aware of a ready made solution to reorder indices in your
> output files. The most obvious solution for me would be, however, to
> modify this in-house script of yours.
>
> On Tue, 2009-03-24 at 12:05 +0100, Hannes Wallnoefer wrote:
> > Hello,
> >
> > I have done an MD for a protein-ligand complex with amber10 and want to
> analyse
> > it with an in-house script. For that reason i need my ligand to have the
> > residue number 1.
>
>
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