> I visually inspected the system and side chain of one residue is almost
> out of the box.
Do you have multiple solute molecules? Having authored solvateOct in
the remote past, this is the only thing I can think of that might
lead to atoms not being considered in drawing the box. Even then, it
seems like there might be something unusual in your setup, since
as mentioned the code has been around for a while without this arising.
Bill
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Received on Tue Nov 08 2011 - 14:30:04 PST
