Dear AMBER users,
I carried out 50 ns of aMD on a protein-protein complex. I have calculated
the values for aMD from the average values of 50ns conventional MD. And I
exactly followed AMBER advanced tutorial 22 steps.
In summary, I haven't seen the desired conformational change yet. Now I
want to run another accelerated MD on the final conformation of the
previous aMD. Is it theoretically correct to use the average values of this
aMD to for another accelerated MD? considering that there is already a
boost in the potential.
Thanks in advance,
--
*Maryam Azimzadeh *
*PhD in Computational Structural Biology *
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Received on Wed Sep 25 2019 - 02:00:02 PDT
