temperature autocorrelation

From: Glenn Johnson (gjohnson_at_srrc.ars.usda.gov)
Date: Thu Apr 07 2005 - 17:39:28 CDT

In the Temperature Quench Echo section of the NAMD tutorial is a step to
calculate the temperature auto-correlation function with Matlab. I do
not have Matlab but I think I might be able to do this with xmgrace.
The problem is that I can not quite figure it out. I looked through the
xmgrace online help, googled, etc., but have not found how to actually
do the auto-correlation. Well, I can click on the menu options and get
an answer but nothing that is close to what is in the NAMD tutorial. I
looked at the Matlab scripts but can get not figure out how to translate
what I am seeing there to what I would have to do with xmgrace. If
xmgrace can not do this, then what would be a good alternative?


Glenn Johnson <gjohnson_at_srrc.ars.usda.gov>
U. S. Department of Agriculture

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