Previous version: OL21 DNA force field (OL21 DNA force field, including OL3 RNA force field)
Refinements on top of ff99 force field:
| DNA | ||
|---|---|---|
| χOL4 | refinement of DNA glycosidic torsion chi | [6] |
| εζOL1 | refinement of eps/zeta torsions | [7] |
| βOL1 | refinement of beta torsion | [8] |
| αγOL21 | refinement of alpha/gamma torsions | [16] |
| RNA | ||
| χOL3 | correction for RNA glycosidic torsion chi | [4,5] |
AMBER:
Parameters can be used in AmberTools23 (and newer) by sourcing files in tLeaP: leaprc.RNA.OL3, leaprc.DNA.OL21
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Alternatively, ff-DNA-OL21 may be downloaded here
Parameters may be read into tLEaP using command: tleap -s -f leap-ff-nucleic-OL21.in
Files are prepared for use with AMBER16/AmberTools16 (and newer). Note that all downloaded files should be placed in the current directory (from which tLEaP was launched) or you should define the path to these in leap-ff-nucleic-OL21.in
