Hello,
I'm guessing you won't see much difference between 250 frames and 1250
frames that are spread over the length of the same trajectory.
In any case, you can always separate it into 2 simulations as long as you
combine the statistics at the end.
Hope this helps,
Jason
On Mon, Apr 18, 2011 at 1:31 AM, Sangita Kachhap <sangita.imtech.res.in>wrote:
>
> Hello all
>
> I have to do MMPBSA_Nmode analysis and I have trajectory of 2500 frames.
> I want to use interval=10 so that total frames will be 250 for nmode
> calculation
> and
> run it on 25 processor,calculated time of run is aprrox 10 days.
>
> Here I want to do nmode calculation two times,1250 frames at a time so
> total
> frames will be 2500.
>
> Will it be relavent to divide total frames into two run?
>
> With regard
>
> Sangita Kachhap
> JRF
> BIC,IMTECH
> CHANDIGARH
>
>
> _______________________________________________
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Apr 18 2011 - 09:00:05 PDT
