Re: [AMBER] How can I create input for two molecule?

From: Jason Swails <jason.swails.gmail.com>
Date: Sun, 9 Mar 2014 09:39:57 -0400

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 - 07:00:02 PDT
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