SB2011 testset
From Rizzo_Lab
Changelog from SB2010 (Work in progress)
- 1BB6 ligand protonation state was adjusted
- 1R9O heme group was included as cofactor
- Boron-containing ligands ?LPR etc will be removed
- Co-factors are now supported
- All protocols now use amber 11 instead of 8
- More families, esp kinases to be added
- PDB codes corresponding to the published DUD40 and Astex85 will be added
