AMBER Archive (2006)

Subject: AMBER: error estimate for free energy perturbation calculation

From: jz7_at_duke.edu
Date: Tue Oct 24 2006 - 23:15:26 CDT

Dear all,

Can someone please recommend references for the estimate of error
(including sampling error) for the free energy perturbation calculation?
I want to know how reliable my delt_delt_G is, and how many trajectories
are necessary, how small each step should be, etc.

Thanks so much!

Jeny
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