AMBER Archive (2006)

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

From: Magne Olufsen (Magne.Olufsen_at_chem.uit.no)
Date: Sun Feb 26 2006 - 13:00:23 CST

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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