Ragnarok sdf wrote:
Hi can I obtain the mean number of hydrogen bonds plus an error
estimate from the hbnum.xvg. I have tried using g_analyze for this,
but the values I got for the mean are not as near as what I would have
expected. Could it be that g_analyze is reading the wrong column. If
that is the case, what would be the best way to do this kind of
analysis.
That should work fine. First determine the time after which the system
is equilibrated, the g_analyze -f hbnum -b time -ee
Thank you in advance
FabrÃcio Bracht
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David van der Spoel, Ph.D., Professor of Biology
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