This may not be generally true. One needs a bit longer cutoff in GB in
comparison to explicit solvent with PME. But 15 A is typically ok. If
you look at the functional form of GB, it drops off pretty quickly. Of
course, for people who have enough time to burn, extremely long cutoff
always sounds good.
yong
> whereas for GB one should make the cut-off considerably larger
(ideally as large as the system itself).
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Received on Thu Apr 21 2005 - 10:53:00 PDT
