Dear all,
Was looking thru the AMBER tutorial and unsure about how should I my way round with calculating the time step.
Could anyone enlighten me on that?
Understand that 1 ns = 1000 ps
If I were to set nstlim = 100,000 and dt = 0.001.
So my initial starting time point would be 0 ps, and after a total of 20 runs, it would be 11 ns?
Am I on the right track?
Thank you.
Best regards,
Li Zhe
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Received on Sun Dec 13 2015 - 23:30:03 PST
