Abstract
The new release contains an important conceptual enhancement of the oxDNA and oxRNA model in form of the new atom style oxdna. The nucleotide polarity is now set through the data file, whereas it was previously determined on the fly. The latter led to occasionally and temporarily frustrated stacking interactions in very flexible ssDNA overhangs and denaturation bubbles.
| Original language | English |
|---|---|
| Place of Publication | San Francisco, CA. |
| Media of output | Online |
| Publication status | Published - 31 Aug 2021 |
Keywords
- LAMMPS
- molecular dynamics simulator
- molcular dynamics code