[gmx-users] Re: gmx-users Digest, Vol 54, Issue 83

servaas michielssens servaas.michielssens at student.kuleuven.be
Sat Oct 18 14:25:15 CEST 2008


The easiest is to use antechamber to generate your topology and then use
the amb2gmx.pl
(http://www.alchemistry.org/wiki/index.php/Image:Amb2gmx.gz)
To convert your amber topology to gromacs.

sevaas



Message: 2
> Date: Sat, 18 Oct 2008 00:23:07 -0200
> From: "Ragnarok sdf" <fabracht1 at gmail.com>
> Subject: [gmx-users] ffamber99 topologies for ligand
> To: gmx-users at gromacs.org
> Message-ID:
> 	<c0c41dc90810171923j586d1fdar1be387b40565b593 at mail.gmail.com>
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> How do I create topology files for a ligand when using ffamber99 in gromacs?
> Thank you
> Fabrcio Bracht
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