The example input files in this directory see how well we do reproducing Coulomb's law.
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 | 1.4.1-binary | 18.3082 | 8.9067 | 5.9096 | 4.4301 | 17.686 | 8.843 | 5.89533 | 4.4215 |
1.4 | 18.3082 | 8.9067 | 5.9096 | 4.4301 | ||||||
1.3 | 18.3082 | 8.9067 | 5.9096 | 4.4301 | ||||||
1.2.1 | 18.3082 | 8.9067 | 5.9096 | 4.4301 | ||||||
1.2 | 18.3082 | 8.9067 | 5.9096 | 4.4301 | ||||||
1.1.0 | 18.3082 | 8.9067 | 5.9096 | 4.4301 | ||||||
1.0.0 | 18.3082 | 8.9067 | 5.9096 | 4.4301 | ||||||
0.5.1 | 18.3082 | 8.9067 | 5.9096 | 4.4301 | ||||||
0.5.0 | 18.3082 | 8.9067 | 5.9096 | 4.4301 | ||||||
0.4.0 | 18.3082 | 8.9067 | 5.9096 | 4.4301 | ||||||
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 |