AMBER Archive (2004)

Subject: Re: AMBER: a quick question about carnal

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Fri Nov 12 2004 - 15:53:41 CST


> carnal output in the calculation of hydrogen bond.
> The file 'hbond.tab" (TABLE file) suppose to have all the records of
> hydrogen bond.
> Lets say I have 200 snap shots, so the file should have 200 " 0 1" records
> of it. But I found after the 200 record, there also have a lot "0 1" record
> which I have no idea of them.

If you

% egrep -v '^#' hbond.tab | awk 'NF > 0' | wc -l

how many lines does it show?

Bill
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