[gmx-users] g_covar 3.2.0

Ing. Vojtěch Spiwok Vojtech.Spiwok at vscht.cz
Mon Jan 12 12:52:00 CET 2004

Dear gromacs users and developers

I tried g_covar of forthcoming version (3.2.0) of gromacs to generate
a covariance matrix with -xpma option. Resulting matrix was converted
to EPS but did not look reasonable. I edited the xpm file. Correlations
were scaled from most negative as "A" - "Z", "a" - "z", "0" - "9" and
"!" - ";". Zero correlation was corresponding to "r" - "s". There were
no (!) positive correlations. Most abundant was "r" - lowest negative
(it is OK), the second was "A" - most negative (it is strange). Absence
of positive correlations and high abundance of most negative correlations
indicates that there is some bug. I left "a" - "r" as negative values and 
tried "A" - "Z" as positive values (by editing of scale of xpm file)
and resulting diagram looks reasonable. Is it posible that it should be
like that?

Vojtech Spiwok

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