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 - 12:30:03 PDT
