Hi I was wondering if anyone knows how to calculate RMSD vs time in AMBER 10, if you have written your trajectory files (ntwx) in number of different steps e.g
ntwx=50 and
ntwx=100
I have used
trajin xx.mdcrd 1 2
trajin dd.mdcrd
rms first mass out filename.rms :1-270
i get an output, but then the time scale on x-axis didn't come out right?
Two,
has anyone got a sample script on how i can calculate RMSD, to find out how much particular residues have moved.
thanks
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Received on Fri Oct 02 2009 - 11:00:01 PDT
