AMBER Archive (2009)

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

From: Hannes Loeffler (hannes.loeffler_at_stfc.ac.uk)
Date: Tue Mar 24 2009 - 06:27:24 CDT

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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