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

From: David A. Case <case.scripps.edu>
Date: Sat, 8 Dec 2007 10:40:09 -0800

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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Received on Sun Dec 09 2007 - 06:07:52 PST
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