Re: AMBER: periodic boundary condition question...

From: HL Eastwood <>
Date: Mon, 30 Oct 2006 15:19:16 +0000


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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Received on Wed Nov 01 2006 - 06:07:14 PST
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