Water Sphere Solvation

From: Peter Murphy (murffyp_at_gmail.com)
Date: Sun Oct 18 2009 - 08:41:38 CDT

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!


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