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From: Sue Legge (sue.legge_at_rmit.edu.au)
Date: Mon Jul 28 2008 - 01:25:43 CDT
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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
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Fiona Sue Legge, PhD
Applied Physics
School of Applied Sciences
Science, Engineering and Technology Portfolio
GPO Box 2476V
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Australia
phone: +61 3 9925 9555, 9208 4287
fax: +61 3 9925 5290
email: sue.legge_at_rmit.edu.au
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- Next message: Roman Petrenko: "Re: solvation and box size"
- Previous message: JC Gumbart: "RE: membrane plugin | lipid structures"
- Next in thread: Roman Petrenko: "Re: solvation and box size"
- Reply: Roman Petrenko: "Re: solvation and box size"
- Reply: Axel Kohlmeyer: "Re: solvation and box size"
- Reply: Christopher Gillespie: "Re: solvation and box size"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]