README for point-pmf APBS examples


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 FileDescriptionAPBS VersionResults (kJ/mol)Analytical (kJ/mol)
1 A Dist2 A Dist3 A Dist4 A Dist1 A Dist2 A Dist3 A Dist4 A Dist
apbs.in Focusing to 0.21 A, srfm spl2 0.4.018.30828.90675.90964.4301 17.686 8.843 5.89533 4.4215
0.3.218.30828.90675.90964.4301
0.3.118.30828.90675.90964.4301
0.3.018.30828.90675.90964.4301
0.2.618.30828.90675.90964.4301
0.2.518.30828.90675.90964.4301
0.2.418.30828.90675.90964.4301
0.2.318.30828.90675.90964.4301
0.2.218.30828.90675.90964.4301
0.2.118.3088.9075.9104.430
0.2.018.318.915.914.43
0.1.818.3088.9075.9104.430