Input File | Description | APBS Version | Results (kJ/mol) | UHBD (kJ/mol) | ||||||
---|---|---|---|---|---|---|---|---|---|---|
Acetic Acid | Acetate | Proton | Ionization Energy | Acetic Acid | Acetate | Proton | Ionization Energy | |||
apbs-mol.in | 3-level focusing to 0.094 A, srfm mol | 0.4.0 | -22.6787 | -199.7462 | -297.4599 | -474.5273 | -22.22 | -198.04 | -295.79 | -471.61 |
0.3.2 | -22.6787 | -199.7462 | -297.4599 | -474.5273 | ||||||
0.3.1 | -22.6787 | -199.7462 | -297.4599 | -474.5273 | ||||||
0.3.0 | -22.6787 | -199.7462 | -297.4599 | -474.5273 | ||||||
0.2.6 | -22.6787 | -199.7462 | -297.4599 | -474.5273 | ||||||
0.2.5 | -22.6787 | -199.7462 | -297.4599 | -474.5273 | ||||||
0.2.4 | -22.6787 | -199.7462 | -297.4599 | -474.5273 | ||||||
0.2.3 | -22.629 | -195.3135 | -290.8751 | -463.5617 | ||||||
0.2.2 | -22.628 | -195.3051 | -290.8591 | -463.5373 | ||||||
0.2.1 | -22.627 | -195.305 | -290.859 | -463.537 | ||||||
0.2.0 | -22.627 | -195.305 | -290.859 | -463.537 | ||||||
0.1.8 | -22.63 | -195.31 | -290.86 | -463.54 | ||||||
apbs-smol.in | 3-level focusing to 0.094 A, srfm smol | 0.4.0 | -22.3304 | -198.4881 | -295.9670 | -472.1247 | -22.22 | -198.04 | -295.79 | -471.61 |