Dear Users,
I am running IBI - My system involves 90 beads, protein chain. Each
iteration is 5 ns and I am running 50 of them - at the begining. What I see
is that the first RDF has 100 times higher maximum than the target RDF. In
the second iteration it has 50 time higher maximum... in the third one it
has 5000 higher. Is that normal to have such fluctuations? Or maybe I have
wrong values of
kbT in my settings which is
<!-- 300*0.00831451 gromacs units -->
<kBT>2.49435</kBT>
Please, advise.
Steven
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