[AMBER] How to use artificial covariance matrix in PCA analysis of cpptraj?

From: wangjianing_mail <wangjianing_mail.163.com>
Date: Fri, 4 Mar 2022 22:10:46 +0800 (GMT+08:00)

Dear Amber user:


I hope to read/load in another artificial covariance matrix in PCA analysis of cpptraj,But I didn't know how it word in cpptraj.


Because I want to do a weighted PCA analysis, that is, each point in the trajectory has an additional weighted. This leads to the covariance matrix I want to use is not the most straightforward version.


Can someone give me a suggestion, or tell me that there is no direct command/options in cpptraj.




Regards,
JN Wang



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Received on Fri Mar 04 2022 - 06:30:02 PST
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