VMD-L Mailing List

From: Sue Legge (sue.legge_at_rmit.edu.au)
Date: Mon Jul 28 2008 - 01:25:43 CDT

A couple of questions regarding solvating a peptide in a cubic box with periodic boundary conditions,

what exactly is the padding?

is it possible to specify an exact box size? Eg. can I create a box 50x50x50 angstrom?

also, is there some way to measure the exact size of the box?

thanks
sue

____________________
Fiona Sue Legge, PhD
Applied Physics
School of Applied Sciences
Science, Engineering and Technology Portfolio
GPO Box 2476V
Melbourne, 3001
Australia

phone: +61 3 9925 9555, 9208 4287
fax: +61 3 9925 5290
email: sue.legge_at_rmit.edu.au
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