Dear Gustavo,
Thank you very much for your suggestion. I think ąt will be very useful for my studies.
Thanks in advance. Adrien
----- Original Message ----
From: Gustavo Seabra <gustavo.seabra.gmail.com>
To: amber.scripps.edu
Sent: Monday, October 20, 2008 4:09:03 PM
Subject: Re: AMBER: question about simulation box
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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Received on Wed Oct 22 2008 - 05:10:18 PDT
