> also I have another question, As my simulation time is very long
> I have the ".out" and "mdcrd" files (which have the information
> of energy and ...) is very long that Excell ignor many data, how
> could I reduce the number of frame?
ptraj can be used to select frames from an mdcrd - see the manual.
I think you would have to write your own script to trim .out files.
Bill
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Received on Wed May 26 2010 - 09:30:03 PDT
