512 Cyclohexane Pre-Equilibrated System Information
Picture | Image not found |
Name | 512 Cyclohexane |
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 | L.D. Schuler, X. Daura and W.F. van Gunsteren. An Improved GROMOS96 Force Field for Aliphatic Hydrocarbons in the Condensed Phase. J. Comput. Chem. 22 (2001) 1205-1218 |
Literature Reference | http://www3.interscience.wiley.com/journal/83002116/abstract?CRETRY=1&SRETRY;=0 |
Molecule box ID | 24 |