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On 30/12/2011 1:06 AM, leila karami wrote:
<blockquote
cite="mid:CAA=8PuungT6oomm9+cXy_TditX6UuaWKeQfXLR4WQPO1Xqde3A@mail.gmail.com"
type="cite"><span style="font-family:arial,helvetica,sans-serif">Dear
gromacs users </span><br
style="font-family:arial,helvetica,sans-serif">
<br style="font-family:arial,helvetica,sans-serif">
<span style="font-family:arial,helvetica,sans-serif">I want to
calculate error estimates using block averaging for output from
g-dist </span><br
style="font-family:arial,helvetica,sans-serif">
<pre style="font-family: arial,helvetica,sans-serif;">(distance between donor atom of protein and acceptor atom of dna).
I used g_analyze -f dist.xvg -ee
there are 3 columns in output file.
anyone give me more explain about these columns?
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<br>
Have you read g_analyze -h and perhaps consulted the reference you
can find there?<br>
<br>
Mark<br>
<br>
<blockquote
cite="mid:CAA=8PuungT6oomm9+cXy_TditX6UuaWKeQfXLR4WQPO1Xqde3A@mail.gmail.com"
type="cite">
<pre style="font-family:arial,helvetica,sans-serif">
how to explicate and interpret these data?
In the one of the my output files, I encountered
Read 1 sets of 1252 points, dt = 0.0119951
std. dev. relative deviation of
standard --------- cumulants from those of
set average deviation sqrt(n-1) a Gaussian distribition
cum. 3 cum. 4
SS1 7.918456e+00 2.788148e+00 7.882919e-02 -0.717 -0.202
Back Off! I just backed up e11grey.xvg to ./#e11grey.xvg.2#
Warning: tau2 is longer than the length of the data (15.0059)
the statistics might be bad
invalid fit: e.e. nan a 2.07331 tau1 3.99138 tau2 183052
Will fix tau2 at the total time: 15.0059
a fitted parameter is negative
invalid fit: e.e. nan a 16.5523 tau1 10.8852 tau2 15.0059
Will use a single exponential fit for set 1
Set 1: err.est. 1.26673 a 1 tau1 1.54994 tau2 0
how to fix that?
Best regards
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