Table 3.
Number of Potential Grids | Average Potential (kcal/mol/grid) | RMS (kcal/mol) | ||
---|---|---|---|---|
QM | AMOEBA | |||
Lys(Me) | 22808 | 51.76 | 51.82 | 0.48 |
Lys(Me2) | 23617 | 51.07 | 51.11 | 0.72 |
Lys(Me3) | 24278 | 50.40 | 50.48 | 0.55 |
Number of Potential Grids | Average Potential (kcal/mol/grid) | RMS (kcal/mol) | ||
---|---|---|---|---|
QM | AMOEBA | |||
Lys(Me) | 22808 | 51.76 | 51.82 | 0.48 |
Lys(Me2) | 23617 | 51.07 | 51.11 | 0.72 |
Lys(Me3) | 24278 | 50.40 | 50.48 | 0.55 |