AMBER: ptraj

From: MURAT CETINKAYA <cetinkayam.psu.edu>
Date: Thu, 11 Nov 2004 16:19:45 -0500 (EST)

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.CA,:~GLY.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
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Thu Nov 11 2004 - 21:53:00 PST
Custom Search