AMBER Archive (2004)

Subject: AMBER: ptraj

From: MURAT CETINKAYA (cetinkayam_at_psu.edu)
Date: Thu Nov 11 2004 - 15:19:45 CST


Hi all,

I want to find atomicfluctutations of my C atoms of proteins. But I want to
include only CA atoms of all GLYs and CB atoms of non-GLY resides. I tried
something like this:
....
atomicfluct out flucB :GLY_at_CA,:~GLY_at_CB

but this mask includes all other atoms...

How should I define my mask?

Thanks,

MuratCetinkaya
Murat CETINKAYA
Biomolecular Materials Lab,
Dept. of Engr. Science and Mechanics,
The Pennsylvania State University,
University Park, PA 16802
office: (814) 863 9967
web: www.personal.psu.edu/muc176
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