512 Cyclohexane Pre-Equilibrated System Information

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Name512 Cyclohexane
DescriptionRectangular box; 512 molecules
Temperature (K)298.15
Pressure (Bar)1.013
Equilibration time (ns)0.5
Time Step (ps)0.002
AuthorsL.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 Referencehttp://www3.interscience.wiley.com/journal/83002116/abstract?CRETRY=1&SRETRY;=0
Molecule box ID24

Affiliated molecules (1-1 of 1)