AMBER Archive (2006)

Subject: AMBER: RMSd vs RMSf

From: Steve Seibold (seibold_at_chemistry.msu.edu)
Date: Fri Sep 22 2006 - 08:42:28 CDT

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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