if you do the imaging properly (centering the protein first!) then you
should not see this. tell us what you're doing in detail.
On Thu, May 5, 2011 at 12:03 PM, Sasha Buzko <obuzko.ucla.edu> wrote:
> Hi all,
> I'm running simulations of small proteins in mixed solvent. The very
> common problem I'm seeing is the protein being out of the solvent box
> after the post-simulation image operation. Since I'm looking for protein
> surface solvation patterns, this makes life somewhat difficult.
> Is there a way to stack several of these unit cells to get a complete
> solvation picture for the protein? Alternatively, is there a way to keep
> the protein within the bounds of the box.
>
> Thanks for any advice
>
> Sasha
>
>
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Received on Thu May 05 2011 - 12:30:04 PDT
