AMBER: RMSd vs RMSf

From: Steve Seibold <seibold.chemistry.msu.edu>
Date: Fri, 22 Sep 2006 09:42:28 -0400

Hi

Could someone please give me a small script on how to calculate RMSd per
residue and RMSf per residue using ptraj. Nothing I do seems to work. No
matter what I do the numerical values turn out, basically, identical for
both RMSd and RMSf.

 

Desperately seeking a solution,

 

Steve

 


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Received on Sun Sep 24 2006 - 06:07:17 PDT
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