AMBER Archive (2008)

Subject: AMBER: High Bfactor values for the terminal residues/atoms

From: Siddharth Rastogi (
Date: Mon Oct 13 2008 - 23:19:52 CDT

Dear ALL,
While calculating Bfactor values, I observe very large values for the end
terminal residues in particular.
This is the input I have given

trajin wtld.mdcrd.gz
center :1-n
image center familiar
rms first :1-n_at_CA
atomicfluct out wtld_bfactor_residue @CA byres bfactor

can anyone suggest me where I might have done wrong.
Siddharth Rastogi

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