AMBER: ptraj atomicfluct: is it possible to calculate atomic fluctations from a reference structure

From: Magne Olufsen <Magne.Olufsen.chem.uit.no>
Date: Sun, 26 Feb 2006 20:00:23 +0100

Hello AMBER community!!!

Is it possibly to calculate atomic fluctations per residue from a reference
structure in AMBER8 with ptraj and the atomicfluct command?
It seems that it the output gives the RMSF per residue (the average
structure as a reference).

Greetings from Magne Olufsen


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Received on Sun Mar 05 2006 - 06:10:06 PST