>
> A snapshot was taken every 2ps for binding energy calculation
> (according to Tutorial_03). Here is the statistics.out.
>
Hi Eric,
I am a newer of MM_PBSA. What's the tutorial_03?
You have a 10ns simulation and take the snapshot every 2ps, so you used 5000
snapshot for the binding energy calculation? From Dr. Gohlke recent paper,
it seems 100-200 snapshoots are enought to generate the meaningful
calculation?
Thanks for help,
Xin
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Received on Fri Apr 15 2005 - 19:53:00 PDT
