Hi amber users,
I have two questions:
1. What is the way to characterize the dynamics of formation and breaking
of HB in water. Is there a way to analyze a trajectory files and obtain
such information?
2. What is the best way to estimate absolute free energies of hydration
for a given ion (the way defined by Aqvist): Delphi, Gibbs, ...which
module?
Thank you,
Ioana
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Received on Tue Jul 22 2003 - 23:53:01 PDT
