AMBER Archive (2005)

Subject: AMBER: correlation

From: Gustavo Pierdominici Sottile (gsottile_at_unq.edu.ar)
Date: Thu Feb 24 2005 - 13:48:50 CST

Dear Amber users:
                          When using the correlation option in ptraj I do
not understand what do tstep, tcorr and tmax mean. tstep is allways set to
1, the second one determines the number of lines that are output and it may
be the number configurations that are taken in account, but related to the
third one I have no idea. Both the second are the third must be smaller that
the number of configuration.
In the output each line has the colums, what do they mean? x y and z. If so
I have values greater than one that sounds rare
Thanks in advance
Gustavo

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