VMD-L Mailing List
From: Margaret S. Cheung (mscheung_at_uh.edu)
Date: Mon Apr 16 2007 - 15:46:48 CDT
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Hello,
We are trying to solvate an asymmetric molecule and we would like to use
a "cubic" periodic boundary box in which the box length is determined by
the largest edge to edge distance of this molecule. We tried to avoid
the "padding" approach, else it will give us a rectangular box if
following the VMD solvate tutorial.
Thank you.
Sincerely,
-- Margaret S. Cheung Assistant Professor Department of Physics 629C Science and Research 1 University of Houston Houston, TX 77204-5005 email: mscheung_at_uh.edu (O)713-743-8358 (F)713-743-3589 http://thoth.phys.uh.edu/~mscheung/
- Next message: Esther Brugger: "Tinker trajectory file"
- Previous message: Ekta Khurana: "Re: .xyz to .dcd using catdcd"
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- Reply: Leonardo Trabuco: "Re: how to solvate a molecule with cubic periodic boundary box?"
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