> I am trying to do hydrogen bond analysis for my protein dna complex, but the
> problem is that my system is very big and my simulation is also of 20 ns.
> That is why ptraj is giving segmentation error, i think because my mdcrd
The ptraj output file should show estimates of memory required. I
personally would break up the h-bond analysis into multiple smaller runs
by putting a short list of donors in each along with the full acceptor
list...
--tec3
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Received on Sun Nov 15 2009 - 13:30:02 PST
