Hello all,
I have a quick question about AMBER's time requirements. I am thinking of
equation 1 in (what I think is the original AMBER paper by Cornell, et al.)
*JACS* *1995*, *117*, 19, p. 5181.
This says the energy is the sum of bonds, angles, dihedrals, LJ, and Coulomb
potentials.
Just as a rough estimate, how much time of a computation does each of these
terms take? Which is the most costly/cheap?
I realize this will change depending on the system being analyzed, how much
water, protein/RNA, etc.
Thanks for your time,
-Dave
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Received on Fri Sep 16 2011 - 13:30:03 PDT
