Hi AMBER Users!
I've seen a number of tutorials on the amber website reference re-imaging
trajectories, however I was wondering if someone could explain the
significance of this action to me.
>From my knowledge it seems that re-imaging a trajectory, after a simulation
has been run, removes excess waters that have moved out of the original box
coordinates. In terms of NVE simulations would it be advantageous to run a
short 1-2 ns simulation, re-image the trajectory, and then use the new
trajectory coordinates to continue with a full 20 ns NVE simulation?
Thanks,
Parker
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Received on Tue Jul 09 2013 - 19:30:02 PDT
