AMBER Archive (2004)

Subject: Re: AMBER: a quick question about carnal

From: Haijun Yang (hyang_at_clarku.edu)
Date: Mon Nov 15 2004 - 11:31:53 CST

Hi!
Thanks for reply.
Actually, I have 2400 snapshots and after I use your command, I got 3638,
which is the number of line I got. The first 2400 line has 3893 fields,
which is the number of hydrogen bonds and the next line has 566 fields and
the rest has 7938 fields.

Thanks again.

Best,

Haijun Yang

----- Original Message -----
From: "Bill Ross" <ross_at_cgl.ucsf.edu>
To: <amber_at_scripps.edu>
Sent: Friday, November 12, 2004 4:53 PM
Subject: Re: AMBER: a quick question about carnal

>> 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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