| Picture | Fig 1. 512 (2-propanol). |
| Name | 512 (2-propanol) |
| Description | Rectangular box; 512 molecules |
| Temperature (K) | 298.15 |
| Pressure (Bar) | 1.013 |
| Equilibration time (ns) | 2.0 |
| Time Step (ps) | 0.002 |
| Program | gromos96 |
| Authors | Horta, Fuchs, Van Gunsteren and Hunenberger |
| Literature Reference | http://pubs.acs.org/doi/abs/10.1021/ct1006407 |
| Molecule box ID | 59 |
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