> Can anyone suggest me a way of uniformly distributing the ions
> around the protein.
You could manually drag them into place in xleap, then solvate.
Be sure to equilibrate water and ions with the solute restrained,
to allow adequate mixing.
As far as the leap bug goes, you could also try it on another
type of machine, if one is available. As it is, it could be
useful to the maintainers to know what OS and C compiler you
are using.
Bill
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Received on Wed Jun 30 2010 - 11:30:07 PDT
