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AMBER Archive (2007)Subject: AMBER: ptraj:problems with time correlation calculation (comp. with NMR experiments)
From: anna.schrey_at_gmx.de
Dear AMBER community,
after browsing the mailing archive, I learned that the analyse correlation command only works with two vectors specified.
But how to apply this to my problem?
I would like to compute correlation times for the CA-HA vectors to compare them to NMR residual dipolar coupling experiments.
For this I have
1.) either to calculate the cross correlations for the vectors with the first component of the inertia vector or
Right?
to 1.) It does not work, since both vectors have to be corr vectors
What would you recommend? Or is there even a completely different solution for my problem?
Best regards,
Anna
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