Be sure to edit the runme.sh script to point to the APBS binary.
This example was contributed by Nathan Baker.
Input File | Description | APBS Version | Results (kJ/mol) | Analytical (kJ/mol) | ||||||
---|---|---|---|---|---|---|---|---|---|---|
1 A Dist | 2 A Dist | 3 A Dist | 4 A Dist | 1 A Dist | 2 A Dist | 3 A Dist | 4 A Dist | |||
apbs.in | Focusing to 0.21 A, srfm spl2 | 0.4.0 | 18.3082 | 8.9067 | 5.9096 | 4.4301 | 17.686 | 8.843 | 5.89533 | 4.4215 |
0.3.2 | 18.3082 | 8.9067 | 5.9096 | 4.4301 | ||||||
0.3.1 | 18.3082 | 8.9067 | 5.9096 | 4.4301 | ||||||
0.3.0 | 18.3082 | 8.9067 | 5.9096 | 4.4301 | ||||||
0.2.6 | 18.3082 | 8.9067 | 5.9096 | 4.4301 | ||||||
0.2.5 | 18.3082 | 8.9067 | 5.9096 | 4.4301 | ||||||
0.2.4 | 18.3082 | 8.9067 | 5.9096 | 4.4301 | ||||||
0.2.3 | 18.3082 | 8.9067 | 5.9096 | 4.4301 | ||||||
0.2.2 | 18.3082 | 8.9067 | 5.9096 | 4.4301 | ||||||
0.2.1 | 18.308 | 8.907 | 5.910 | 4.430 | ||||||
0.2.0 | 18.31 | 8.91 | 5.91 | 4.43 | ||||||
0.1.8 | 18.308 | 8.907 | 5.910 | 4.430 |