calculating energy for large log files

From: gurunath katagi (
Date: Thu May 21 2009 - 02:30:40 CDT

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..

thank you

Gurunath M Katagi
M.Sc (engg) Research student
Supercomputer Education and Research Centre
Indian Institute Of Science

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