AMBER Archive (2007)

Subject: AMBER: How many steps should be used for a MD calculation?

From: Michel Becker (michelbeacker_at_web.de)
Date: Tue Jan 09 2007 - 03:12:55 CST

Dear AMBER users,

just a small question. I often asked myself how many steps it needs that an MD calculation counts as meaningful. surely it is system dependent. I am handling with a DNA-drug complex, my timestep is 0.002.

Could you please tell me something about the number of steps that you take for compareable systems?

With best regards

Michel Beacker.
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