Dear Amber Users,
May anyone tell me, what is the meaning of
convergence
of the free energy calculations? Is there any way to know that energy calculations are conserved or not?
Further I want to make a plot for free energy of each snapshot used for MM_PBSA calculations. How can I do this? Is there any script or program required to calculate energy for each snap separately?
I shall be highly thankful to every one, how can give me suggestions in this regards.
saurabh
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Received on Wed Jan 23 2008 - 06:07:24 PST
