AMBER Archive (2008)

Subject: Re: AMBER: question about simulation box

From: Adrien Delmont (adriendelmont_at_yahoo.com)
Date: Tue Oct 21 2008 - 08:43:24 CDT

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_at_gmail.com> To: amber_at_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. ----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to amber_at_scripps.edu To unsubscribe, send "unsubscribe amber" (in the *body* of the email)       to majordomo_at_scripps.edu

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