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Mistake in caculating Benchmark Average

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Mistake in caculating Benchmark Average

There is a basic principal that you cannot average averages. The overall result for the benchmark should be calculated by dviding the sum of the target results by the sum of the baseline results. This is not the same as dividing the sum of the index results by 6. Changing the way this is calculated will give a more mathematically valid way of comparing performance from one host to the other.
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g_bond(1)					 GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c					 g_bond(1)

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g_bond -f traj.xtc -n index.ndx -s topol.tpr -o bonds.xvg -l bonds.log -d distance.xvg -[no]h -[no]version -nice int -b time -e time -dt time -[no]w -xvg enum -blen real -tol real -[no]aver -[no]averdist
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- It should be possible to get bond information from the topology.
gromacs(7) More information about GROMACS is available at <>. Mon 4 Apr 2011 g_bond(1)

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