[gmx-users] g_covar

[tangxuan]

Mark Abraham wrote:
> tangxuan wrote:
>
>> Thanks for your reply. I have another question. I can get the 
>> coordinates covariance by option -ascii, but do you know how to get a 
>> exact covariance value for each atom?
>
> How do you mean "exact", and in what format?
>
> Mark
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Through the option -xpma, i can get a covariance map for the atoms, but 
the value of covariance can not be seen.
In my opinion, in the header of xpm file, these
"A  c #0000FF " /* "-0.011" */,
"B  c #1414FF " /* "-0.0102" */,
"C  c #2727FF " /* "-0.00935" */,
"D  c #3B3BFF " /* "-0.0085" */,
"E  c #4E4EFF " /* "-0.00765" */,
"F  c #6262FF " /* "-0.0068" */,
"G  c #7676FF " /* "-0.00595" */,
"H  c #8989FF " /* "-0.0051" */,
"I  c #9D9DFF " /* "-0.00425" */,
"J  c #B1B1FF " /* "-0.0034" */,
"K  c #C4C4FF " /* "-0.00255" */,
"L  c #D8D8FF " /* "-0.0017" */,
"M  c #EBEBFF " /* "-0.00085" */,
"N  c #FFFFFF " /* "0" */"
just give a range which the covariance value of atoms belong to.  
However, I want to get a value, but not a range for the covariance  of 
atoms.

Tang