Re: [AMBER] ParmEd

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 4 Jul 2016 22:30:16 -0400

On Mon, Jul 4, 2016 at 10:09 PM, Neha Gandhi <n.gandhiau.gmail.com> wrote:

> Thanks Jason,
>
> Is there a manual for ParmEd commands?
> I ran the gromber command successfully however I don't see any output files
> in the directory. :(
>

‚ÄčThe gromber action in itself does not actually output any files. It reads
in a GROMACS topology and coordinate file (GRO, PDB, ..., any supported
file format that has coordinates) and converts them into its internal Amber
representation.

To write a prmtop and inpcrd file, you need to use the "outparm" command.

HTH,
Jason

-- 
Jason M. Swails
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Received on Mon Jul 04 2016 - 20:00:02 PDT
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