[AMBER] Simulation Time

From: Wong Li Zhe <Wong.LiZhe.student.imu.edu.my>
Date: Tue, 23 Aug 2016 05:00:03 +0000

Dear AMBER users,

Just a quick question.

I would like to reduce the nstlim from 100,000 to 5,000; dt from 0.001 to 0.002,

to give 10ps/run.

I have done about 1000 runs previously which in totals give 100,000 ps (1000 runs*100ps/run).

If I were to change the nstlim and dt now, I wonder would it still make sense? As the total simulation time will change (1000 runs*10ps/run) = 10,000 ps and the trend will no longer be consistent.

Or is it something that I shouldn't be concern about?

Best regards,

Li Zhe

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Received on Mon Aug 22 2016 - 22:30:03 PDT
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