[AMBER] cpptraj crosscorr command

From: Gard Nelson <Gard.Nelson.NantBio.com>
Date: Wed, 3 Jun 2015 23:53:25 +0000

Hi everyone,

I’m sure there is something very basic that I’m missing, but for the life of me, I can’t figure out what it is. I want to run the crosscorr analysis and have tried every permutation of the following that I can think of.

parm …
trajin …

matrix name dstmtx dist <mask1> <mask2>
runanalysis crosscorr dstmtx out crosscorr.dat

Regardless of what I do, cpptraj tells me that the size of crosscorr_00001 is zero and the output file isn’t written.

The point of this is to determine the difference (if any) between running crosscorr on a distance matrix, and running the “matrix correl” command? Any explanations adding to what’s contained in the manual would be appreciated.

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Received on Wed Jun 03 2015 - 17:00:02 PDT
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