CCL: help needed

 Sent to CCL by: Jozsef Csontos [jozsefcsontos{}]
 I can imagine that gnumeric doesn't have this "excel" limitation, but
 I'm not sure, so why don't you check it. It has ported to windows, too.
 Good luck,
 On Mon, 2006-05-01 at 08:34 -0400, Richard L. Wood
 > Sent to CCL by: "Richard L. Wood" []
 > Hi all,
 > This question isn't a direct computational chemistry question, but an
 indirect one.  So please bear with me.
 > I'm trying to analyze the output of a 1 nanosecond MD calculation that I
 ran using the program NAMD.  Since it's a text file, I could use MS Excel to
 open it and sort the energies from lowest to highest value, which is what I
 would like to do.  However, MS Excel has a limit of about 65000 lines of text
 (or rows) that a file can contain.  Mine has 2000000 lines of text, so that my
 file is too big.  My workaround is to open the file in MS Word, and cut it into
 pieces that can be opened in MS Excel.  Then I can find the minimum energy fro
 each piece, save that value, and then when done, find the overall minimum.  Once
 I've done this, I can find the corresponding frame number in the file that
 contained it, go to the trajectory and save those coordinates.
 > However, as you can imagine, this isn't a very efficient process.  My
 simulation takes about 2 and half hours or so to run, while this analysis takes
 about two hours to do.  I can therefore do about one of these in a day, as I
 have another non-computational "job" that I am doing.  At some point,
 I will be running some smalled calculations, which will take much less than two
 hours to run, and so the analysis will take longer than the simulation!
 > My question is this:  does anyone know of a spreadsheat program where I can
 a) import a text file of more than 65000 rows easily, b) can sort a given column
 of that file, and c) works under Windows and is free?  I've tried Quattro Pro,
 and all the file comes out in a single row!
 > TIA,
 > Richard>
 Jozsef Csontos, Ph.D.
 Department of Biomedical Sciences
 Creighton University,
 Omaha, NE