| grid resolution |
0.4 |
| converged when RMSD population
fitness |
<1 kcal/mol |
| the total memory
required
for grids |
17,971,200
bytes |
| van
der Waals coefficient |
–0.00096 |
| hydrogen bond coefficient
neutral–neutral |
–0.38 |
| the grid prepared and calculated
possible interactions |
15,627,372 of 722,649,600
total |
| total
memory required for
bump grid |
835,584
bytes |
| grid
min (x, y, z) |
–14.3296, −101,456,
3.62814. |
| grid max(x, y, z) |
3.29539, 14.9794,
27.2531 |
| total memory required for
fine grid |
835,584
bytes |
| total
memory required for
first coarse grid |
280 bytes |
