AMBER Archive (2004)

Subject: AMBER: trival question about format of pev file and covariance matrix

From: jz7_at_duke.edu
Date: Mon Aug 09 2004 - 10:52:03 CDT

Dear all,

I have a trival question about how to read the covariance matrix and
pev file from ptraj. Should I read the pev file line by line or column by
column? Each atom has three cordinate value in covariance matrix. Are they
next to each other(atom1, atom2, ...)? Also the covariance matrix is not
normalized, right?

Thanks a lot!

Sincerely,
Jeny
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