dear Ross,
Thank you for suggestion. Should I extract the information from mdout using
*.trj file ?
thanks.
On Mon, Aug 2, 2010 at 12:24 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
> This could be a good time to learn awk or perl, to write simple
> programs to process text files. You may also want to look at the
> mden file - I forget the format but believe it is easier to parse
> than mdout.
>
> Bill
>
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Received on Sun Aug 01 2010 - 23:30:04 PDT