Hi,
Just to add on to what Dave said, if you do use the autoimage command
that should be the only command you need, so your script would become:
reference min.rst
autoimage
rms reference out R165rms.out time 0.01 :165 name R165rms
rms mass out nwrms.out time 0.01 :1-600 name mwrms
atomicfluct out back.txt .C,CA,N byres bfactor
strip :WAT
average avg.pdb pdb
I recommend you try it on a subset of your trajectory first (ideally a
small range of frames where you know imaging is a problem). Let me
know if you run into problems.
-Dan
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-9119 (Fax)
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Received on Tue Nov 06 2012 - 13:00:05 PST
