From: Anirban Ghosh (anirbang_at_cdac.in)
Date: Wed Dec 10 2008 - 23:21:48 CST
Hi Gumbart and Alexander,
Thanks for your help.
I used grep to remove the "Info: ABSOLUTE" terms from the log files. But
that did not work. However after removing "Info: RELATIVE" terms also, it
works. I guess there is no harm in removing the "Info: RELATIVE" terms
from the log files.
> I figured out why it doesn't work. The namdplot tool does a regexp
> search for "ENERGY:". The lines that appear early in the log file
> which begin "Info: ABSOLUTE IMPRECISION IN VDWA TABLE ENERGY: " match
> this and cause the loop to break. If you grep these out (grep -v
> "Info: ABSOLUTE"), or use some other tool to remove them, before
> using namdplot, it should work.
> On Dec 9, 2008, at 10:42 PM, Anirban Ghosh wrote:
>> Hi ALL,
>> I concatenated a number of NAMD .log files into a single .log file
>> cat command. But when I am using this final log file to draw plots
>> in VMD
>> it is taking the energy values of the first log file only to make the
>> How can I get the graphs for the entire run from all the log files
>> together? Is there any command to concatenate log files like catdcd is
>> used for dcd files? Any suggestion is welcome.
>> Anirban Ghosh
>> Grade Based Engineer
>> Bioinformatics Team
>> Scientific & Engineering Computing Group
>> Centre for Development of Advanced Computing
>> Pune, India
-- Anirban Ghosh Grade Based Engineer Bioinformatics Team Scientific & Engineering Computing Group Centre for Development of Advanced Computing Pune, India
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