Hi All,
I'm running some basic peptide (~15 residues)- protein (~90 residues)
binding simulations for a friend/colleague. I just want to make sure I'm
dotting all my i's and crossing all the t's in case he tries to publish
this down the line.
Presently I have been using the TIP3P solvent model in combination with
running MM-PBSA. Are we going to run into (should we be concerned) any
issues (reviewers-artifacts-etc.)? Would it be safer/smarter to use TIP4P
or TIP5P?
Thanks,
Jonathan
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Received on Tue Apr 16 2013 - 11:00:05 PDT
