Hi,
I want to perform a free simulation in which the initial velocities of
a certain atoms are particular vectors to be specified by me. Is there
any simple way to achieve this?
More specifically, I want to manually set the initial values of the
projections over certain directions of the velocites of my atoms of
interest.
The Amber rsmd files are awful to deal with, and I'm guessing there
should a simpler way to do this sort of things?
Thanks,
Diego SP
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Received on Fri May 04 2018 - 06:00:03 PDT
