[AMBER] Number of MMPBSA_Nmode run

From: Sangita Kachhap <sangita.imtech.res.in>
Date: Mon, 18 Apr 2011 14:01:35 +0530 (IST)

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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Received on Mon Apr 18 2011 - 02:00:02 PDT
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