Re: [AMBER] Extracting infromation from topology file

From: Hai Nguyen <>
Date: Wed, 09 May 2018 05:47:07 +0000


You can use parmed (check amber manual).
i am using phone so can’t tell you the exact command, but the manual is a
good start.


On Wed, May 9, 2018 at 1:36 AM anu chandra <> wrote:

> Dear Amber users,
> I have generated a Amber compatible topology file for a system that
> contains protein and a bound-ligand. I wonder how to extract different
> information from the topology file to reconfirm the system parameters. For
> e.g., the ligand I am using posses total charge of +1e and, though I have
> used correct prep and frcmod file for generating .top file, I would like to
> reconfirm the total charge of the ligand in the generated .top file.
> Any help would be highly appreciated.
> Thanks in advance
> Anu
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Received on Tue May 08 2018 - 23:00:02 PDT
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