[AMBER] significance of time-average or representative structures from MD

From: Senthil Natesan <sen.natesan.yahoo.com>
Date: Sun, 5 Sep 2010 11:01:55 -0700 (PDT)

Dear Amber Users/Developers,

I would be very thankful if you can share the significance and various uses of
time-average or representative structures from MD simulation.
I use it for QM/MM energy calculations.

I hope that Amber users/developers will kindly share their experiences to
enrich us (the beginners).

I consider this forum as a great learning place, in addition to getting
suggestions/fixes
to successfully use AMBER

Thanks in advance !!.

Senthil Natesan


      
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Received on Sun Sep 05 2010 - 11:30:04 PDT
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