AMBER Archive (2007)

Subject: Re: AMBER: Continuing an amber 8 simulation with amber 9

From: David A. Case (case_at_scripps.edu)
Date: Sat Dec 08 2007 - 12:40:09 CST


On Sat, Dec 08, 2007, ming hui wrote:
>
> While it is okay to combine the results from separate MD simulations run
> on amber 8 and 9, is it also okay to extend a simulation run in amber 8
> using amber 9?
>

There should be no changes in results between versions 8 and 9. But run a
short simulation (say 50 steps with ntpr=1) in both versions just to be sure
for *your* system.

...dac

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