Dear Amber users,
I want to run Implicit solvent MDs with my protein of interest. I
have already simulated the protein using explicit water model TIP3P. I want
to yield the results in better agreement/ similar conformations like that
of explicit solvent runs. But I am not getting the same results. Can any
one please suggest what are the best parameters to achieve results using
implicit solvent that can mimic the results of explicit solvent MD runs?
Thanking you,
Regards
Aditya.
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Received on Fri Mar 16 2012 - 21:30:02 PDT
