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AMBER Archive (2006)Subject: RE: AMBER: Ptraj selecting specific atoms in specific residues
From: Steve Seibold (seibold_at_chemistry.msu.edu)
Thanks Scott.
That was the problem! I WAS missing something "simple"...ugh.
I am getting the correct data now.
Thanks again, Steve
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From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf
Steve,
Have you tried using your first command without a space between ':1-2'
Scott
On 8/16/06, Steve Seibold < seibold_at_chemistry.msu.edu
Hello
I hope I am not missing something simple, but I do have a simple
rms mass out file.txt time 5 :1-2 @CA,N
atomicfluc out file.txt @CA,N :1-2
Neither of these commands seems to work. I do get data but it is NOT the
Am I doing something wrong or does AMBER not do this?
Thanks, Steve
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