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
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
