Picture | Fig 1. 512 diethylamine. |
Name | 512 diethylamine |
Description | Rectangular box; 512 molecules |
Temperature (K) | 298.15 |
Pressure (Bar) | 1.013 |
Equilibration time (ns) | 0.5 |
Time Step (ps) | 0.002 |
Program | gromos96 |
Authors | Oostenbrink, Villa, Mark and Van Gunsteren |
Literature Reference | http://www3.interscience.wiley.com/journal/109560904/abstract |
Molecule box ID | 6 |