TABLE 7.4.
solver name |
h | # degrees of freedom |
Gpol (kcal/mol) |
memory (mb) |
time (seconds) |
---|---|---|---|---|---|
4.0e-1 | 173 | −87.663 | 1.4 | 0.56 | |
2.0e-1 | 333 | −84.476 | 8.2 | 1.18 | |
APBS | 1.0e-1 | 653 | −82.178 | 59 | 8.83 |
5.0e-2 | 1293 | −81.831 | 448 | 57.73 | |
2.5e-2 | 2573 | −81.594 | 3510 | 426.30 | |
2.5e-1 | 82 | −80.077 | 38 | 5.90 | |
1.2e-1 | 162 | −81.358 | 68 | 13.60 | |
PB-CFMM | 6.2e-2 | 322 | −81.428 | 125 | 46.56 |
3.1e-2 | 642 | −81.444 | 275 | 203.60 | |
1.6e-2 | 1282 | −81.449 | 995 | 830.09 |