Re: [AMBER] Solvate box

From: Gustavo Seabra <gustavo.seabra.gmail.com>
Date: Wed, 26 May 2010 10:44:15 -0300

I'm not sure there is a way to do that in LEaP. You may want to take a
look into Packmol:

http://www.ime.unicamp.br/~martinez/packmol/

-- 
Gustavo Seabra
Professor Adjunto
Departamento de Química Fundamental
Universidade Federal de Pernambuco
Fone: +55-81-2126-7417
On Wed, May 26, 2010 at 9:07 AM, JoRDi wrote:
> Hello everyone:
>
>        I have built a bilayer system (a DMPC membrane), and now I want
>        to
>        solvate it with water. I want to put a layer of water molecules
>        just on top and below the membrane (no water molecules within
>        the membrane). How am I suppose to do it? Is there any command
>        available in Amber 10 to do this?
>
>        If I use the solvatebox sentence, it puts water molecules all
>        around my bilayer system, which I don't want.
>
>        Can anyone help me??
>
>        Thank you,
>        Jordi.
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Received on Wed May 26 2010 - 07:00:06 PDT