AMBER Archive (2009)

Subject: [AMBER] What is the meaning of "rms first *"

• Previous message: Catein Catherine: "RE: [AMBER] PCA analysis: the first vector is the movement of whole molecule."
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Dear Sir/Madam,

Should we expect the rotation and translation motion of whole system removed by "rms first *" command in PCA analysis? What is the * stands for?

If not, what should we do to remove the rotation and translation motion of the system before doing PCA analysis?

Best regards and many thanks in advanced,

Cat

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• Previous message: Catein Catherine: "RE: [AMBER] PCA analysis: the first vector is the movement of whole molecule."
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]