[gmx-users] g_covar

[Mark Abraham]

tangxuan wrote:
> 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.

Yes, but that's not what I asked. What is unsatisfactory with the -ascii 
output?

Mark