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Added comment on new duplex3

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Oliver Henrich 2019-07-19 12:30:01 +01:00
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examples/USER/cgdna/README
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T - G - C - A T - G - C - A
/examples/duplex3:
This is basically the duplex1 run with both nucleotide mass and moment
of inertia set to the values of the standalone implementation of oxDNA,
which are M=I=1. To achieve this, the masses were set directly, whereas
the diameter of the ellipsoid in the data file was changed to 3.16227766.
This allows direct comparision of e.g. trajectory data or energies on a
per-timestep basis until numerical noise leads eventually to deviations.
/util:
This directory contains a simple python setup tool which creates
single straight or helical DNA strands, DNA duplexes or arrays of DNA