Yao Yao wrote:
Hi Gmxers,
I ran g_hbond between my protein and water for a 3ns trajectory with 2
fs integration step but found the error,
"Cannot calculate autocorrelation of life times with less than two frames",
I am quite sure my system is just a regular protein in a cubic water box.
And the size of trajectory is big with no error messages when finished.
So it should not be just a couple of frames.
Anyone met this before?
Without providing the exact command you used, there's little anyone can do to
help. In addition, you may want to run gmxcheck on your trajectory to make sure
there are no corrupt frames.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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