Picture | Fig 1. 512 hexanol. |
Name | 512 hexanol |
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 | 62 |