[AMBER] Time Step

From: Wong Li Zhe <Wong.LiZhe.student.imu.edu.my>
Date: Mon, 14 Dec 2015 07:01:18 +0000

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
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