AMBER Archive (2006)

Subject: Re: AMBER: periodic boundary condition question...

From: HL Eastwood (s0237717_at_sms.ed.ac.uk)
Date: Mon Oct 30 2006 - 09:19:16 CST

Sergey

Thankyou for getting back to me. I have seen the setBox command, but I
don't get how it works. If you can indeed specify the box dimensions
then why are box dimensions not supplied as an argument? I would have
thought it would work something along the lines of: setBOX <unit>
<atomic atom name> <x coor> <y coor> <z coor>

My question is therefore:

How using the "setbox" command can I set up a periodic box of 8 x 8 x 20?

many in thanks in advance

Hayden Eastwood

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