Current version: OL24 DNA force field (OL24 DNA force field, including OL3 RNA force field)
Refinements on top of ff99 force field:
DNA | ||
---|---|---|
χOL3 | refinement of glycosidic torsion chi (replaces χOL4 used in OL15 and OL21) | [4] |
εζOL1 | refinement of eps/zeta torsions | [7] |
βOL1 | refinement of beta torsion | [8] |
αγOL21 | refinement of alpha/gamma torsions | [16] |
POL24 | refinement of sugar pucker | [18] |
RNA | ||
χOL3 | correction for RNA glycosidic torsion chi | [4,5] |
AMBER:
ff-DNA-OL24 may be downloaded here
Parameters may be read into tLEaP using command: tleap -s -f leap-ff-nucleic-OL24.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-OL24.in