how can I put them in tleap and the same box?
Z. Khatti, Ph.D student of Physical Chemistry,
Department of Chemistry, Iran University of Science & Technology,Tehran, Iran
________________________________
From: Jason Swails <jason.swails.gmail.com>
To: Zahra Khatti <khatti_za.yahoo.com>; AMBER Mailing List <amber.ambermd.org>
Sent: Sunday, 9 March 2014, 17:09:57
Subject: Re: [AMBER] How can I create input for two molecule?
On Sun, Mar 9, 2014 at 9:18 AM, Zahra Khatti <khatti_za.yahoo.com> wrote:
Dear amberists
>
>I prepared a PDB file of two molecule for use with antechamber to generate a mol2 file, also molecules don't bind.
>
>But in mol2 and prmtop file are shown one Residue. How can I create input file with separated Residue?
Put each residue into a separate PDB and parametrize them separately.
Good luck,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Sun Mar 09 2014 - 09:00:02 PDT
