[gmx-users] g_analyze -ee

dina dusti dinadusti at yahoo.com
Sat Feb 18 13:34:59 CET 2012


Dear Gromacs Specialists,

Sometimes, when I do "g_analyze -f      .xvg -av -ee error.xvg" , I take following warning, and I don't know how to fix it.

Set   1:  err.est. 0.000596502  a 0.29217  tau1 24.8856  tau2 443.641
Warning: tau2 is longer than the length of the data (864000)
         the statistics might be bad
invalid fit:  e.e. 0.285911  a 0.995985  tau1 1434.16  tau2 1.41932e+09
Will fix tau2 at the total time: 864000
Set   2:  err.est. 0.00859257  a 0.995692  tau1 1432.7  tau2 864000
Set   3:  err.est. 0.00527967  a 0.588024  tau1 804.83  tau2 3603.55
a fitted parameter is negative
invalid fit:  e.e. 0.00421461  a 1.08722  tau1 1672.3  tau2 6955.25
Will fix tau2 at the total
 time: 864000
a fitted parameter is negative
invalid fit:  e.e. -nan  a 1.00449  tau1 1455.53  tau2 864000
Will use a single exponential fit for set 4
Set   4:  err.est. 0.00453113  a 1  tau1 1400.34  tau2 0

Please help me.
Thanks in advance from your response.

Best Regards

Dina
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