VMD-L Mailing List
From: Peter Murphy (murffyp_at_gmail.com)
Date: Tue Oct 13 2009 - 16:54:45 CDT
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Hello everyone,
I have used the solvation script before without problem, but now
what I am trying to use it on a different PDB/PSF set, things are going
wacky. First, I am getting a water box instead of a water sphere.
Secondly, instead of the water being centered around my protein of
interest, the corner of the box starts at the center of my protein,
resulting in only 1/4 of the protein being solvated, and a HUGE water
box (8 - 9 times the volume of my protein). Any suggestions?? (I have
the output PDB/PSF available if it helps!)
Thanks in advance!
Peter
- Next message: Ahmet Bakan: "Re: Representation problem"
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- Reply: Axel Kohlmeyer: "Re: Re: Water Sphere Solvation"
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