Hello Amber
I am trying to calculate a correlation matrix as follows in my ptraj
command
"matrix correl name TEST :3.CA, C :16.CA, C out file.dat byres mass"
As the output is being printed to the screen, "PTRAJ: matrix correl name
TEST :3.CA, C :16.CA, C out file.dat byres mass"
Mask []
3 atoms
Mask []
3 atoms
"Warning in ptraj, matrix: matrix only stored if no mask2,"
I don't understand this error. I need two variables for a correlation
and ptraj does recognize them it just does not print out a "file.dat"
when it's done.
I must be missing something fundamental here. Could someone please
explain to me what I am doing incorrect and if my understanding is not
accurate?
Steve
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
to majordomo.scripps.edu
Received on Sun Sep 07 2008 - 06:07:14 PDT
