Re: calculating energy for large log files

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Thu May 21 2009 - 09:30:51 CDT

On Thu, 2009-05-21 at 13:00 +0530, gurunath katagi wrote:
> Dear all,
> I have done a simulation of a protein molecule for 60ns, done in 3
> bits of 20ns each.
> i have the 3 three seperate log files and i combined these files using
> cat command .
> But when i load this log file , in the namd plot plug in, i get the
> plot of ant parameter for only upto 1x10 exp 7 and not beyond that..
>
> also the same this is happening when i want to calculate the KINETIC
> or any parameter using namdstats.tcl
> $source namdstats.tcl
> $data_time KINETIC ../hemo_combine.log
>
> it is printing the kinetic energy values upto 999500 only and not
> beyond that... how can i rectify this... please suggest me nay
> possible solutions..

how about processing each part and combining the results?

axel.

>
> thank you
>
> --
> Gurunath M Katagi
> M.Sc (engg) Research student
> Supercomputer Education and Research Centre
> Indian Institute Of Science
> Bangalore

-- 
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Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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