Loading examples/USER/cgdna/README +8 −0 Original line number Diff line number Diff line Loading @@ -22,6 +22,14 @@ A - C - G - T - A - C - G - T | | | | | | | | 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 Loading Loading
examples/USER/cgdna/README +8 −0 Original line number Diff line number Diff line Loading @@ -22,6 +22,14 @@ A - C - G - T - A - C - G - T | | | | | | | | 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 Loading
