From: Bill Ross <>
Date: Mon, 25 Aug 2003 12:04:56 -0700 (PDT)

> I am trying to get an average structure from snapshots 1-500 of
> an MD trajectory which includes a total of 1000 snapshots. Could anyone
> tell me how to change the following batch file for CARNAL that is for
> generating an average for the total 1000 snapshots? Do I have to use
> SELECT to obtain the 500 snapshots first? Thanks!

You should run carnal twice in this case, first using SELECT with
OUTPUT COORD to get a file with snapshots 1-500, then run your
measurement against that.

Bill Ross

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Received on Mon Aug 25 2003 - 20:53:01 PDT
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