AMBER Archive (2008)

Subject: Re: AMBER: question about simulation box

From: Gustavo Seabra (gustavo.seabra_at_gmail.com)
Date: Mon Oct 20 2008 - 08:09:03 CDT

On Sun, Oct 19, 2008 at 5:04 PM, Adrien Delmont wrote:
> Dear Amber Users,
>
> How can place two different molecules with nearly same numbers into the
> same simulation box in Amber ? And secondly, Is it possible to determine the
> size of simulation box ? I want to place for example X molecules upside of
> box and Y molecules underside of box. Is it possible to do this? I'm
> waiting for your help.
>
> Best regards, Adrien

Hi Adrien,

This might help you: http://www.ime.unicamp.br/~martinez/packmol/

Gustavo.
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