Hello gmx-users,
I am attempting to use g_analyze to find the error estimate on the average
volume of my system. Using an .xvg file with my volume data and the -ee flag I
receive the following message.
Found only 1 number on line, assuming no time is present.
Read 1 sets of 611700 points, dt = 1
relative deviation of
standard std. dev.
--------- cumulants from those of
set average deviation sqrt(n-1) a
Gaussian distribition
cum. 3 cum. 4
SS1 1.480894e+01 1.283016e-01 1.640450e-04 0.070 0.005
a fitted parameter is negative
invalid fit: e.e. 0.00023263 a 1.01491 tau1 1.33511 tau2 23.436
Will fix tau2 at the total time: 611699
a fitted parameter is negative
invalid fit: e.e. nan a 1.00002 tau1 1.24851 tau2 611699
Will use a single exponential fit for set 1
Set 1: err.est. 0.000259141 a 1 tau1 1.24772 tau2 0
can anybody suggest to me what would be causing this trouble in fitting? does
this indicate a problem with my data?
Thank you in advance
Jake Spooner
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