AMBER Archive (2009)

Subject: [AMBER] ptraj "image" "center" commands

From: Catein Catherine (askamber23_at_hotmail.com)
Date: Thu Jun 11 2009 - 04:13:38 CDT

Dear Sir/Madam,

 

I have some problem with the use of ptraj for mdcrd files analysis.

 

What does it mean by image?

 

Why we need center?

 

Does these two commands "image" or "center" needed when we want to generate rmsd, average structure, correlated motion and fluctuation results only?

 

Best regards,

 

Cat

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