AMBER Archive (2000)

Subject: HBOND analysis after CARNAL

From: samantha hughes (s.j.hughes_at_ic.ac.uk)
Date: Thu Oct 12 2000 - 07:31:11 CDT

Hi All,

Before I reinvent the wheel here, is there any easy/established
way of plotting frequently occupied hydrogen bonds using a Carnal
LIS, TAB or OUT file?

I wish to have a series of plots of hydrogen bond length vs
time, one for each hydrogen bond measured by Carnal (or better,
only the most frequently occupied ones), preferably without lots
of fiddling round with awk, grep or perl type programs.

Any ideas/scripts would be appreciated

Thanks for any input,

Sam

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Samantha Hughes
Department of Chemistry
Imperial College of Science, Technology and Medicine
Exhibition Road
London SW7 2AY
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