Re: [AMBER] decomposition output file

From: Nadia Li <amber.nadiali.gmail.com>
Date: Thu, 4 Sep 2014 07:19:11 -0700

Thank you very much for your information, Bill and Jason! It worked out
well!
Nadia


On Thu, Sep 4, 2014 at 4:39 AM, Jason Swails <jason.swails.gmail.com> wrote:

> On Thu, Sep 4, 2014 at 12:51 AM, Bill Miller III <brmilleriii.gmail.com>
> wrote:
>
> > The decomposition output is in the format of a comma-separated values
> (CSV)
> > file. You should be able to open the file in your favorite spreadsheet
> > program (such as Excel) using comma delimiters that will separate each
> > value into its own cell for easier reading.
> >
> ‚Äč
> I personally prefer CSV files myself (easier to machine-process), but you
> can have MMPBSA.py write an ASCII-formatted file that looks better under
> fixed-width fonts by putting the keyword "csv_format=0" in the &decomp
> section of the MMPBSA.py input file.
>
> You can also change the csv_format variable to 0 in the _MMPBSA_info file
> and run "MMPBSA.py -rewrite-output" to have MMPBSA.py immediately
> regenerate the output file in the other format.
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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>
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Received on Thu Sep 04 2014 - 07:30:02 PDT
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