README for point-pmf APBS examples

$Id: README.html 1600 2010-08-25 19:42:35Z yhuang01 $

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 1.3 18.3082 8.9067 5.9096 4.4301 17.686 8.843 5.89533 4.4215
1.2.118.30828.90675.90964.4301
1.218.30828.90675.90964.4301
1.1.018.30828.90675.90964.4301
1.0.018.30828.90675.90964.4301
0.5.118.30828.90675.90964.4301
0.5.018.30828.90675.90964.4301
0.4.018.30828.90675.90964.4301
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