From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Mon Jan 26 2004 - 17:46:59 CST
If you want to get the same exact answer, use the same seed and run the
same binary serially (both times). Running in parallel introduces some
varying numerical noise.
If you're looking for an independent run, then change the seed (or leave
it out and NAMD will pick one based on the current time).
-Jim
On Thu, 22 Jan 2004, Ioana Cozmuta wrote:
> Hi namd users,
>
> A short question, if I want to repeat some SMD simulation (using the same
> simulation parameters: initial conditions, velocity value, temperature
> etc) do I need to change the value of the seed or that should also be the
> same?
>
> Thank you,
> Ioana
>
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