512 heptanol Pre-Equilibrated System Information

Picture
512 heptanol.<br>Rectangular box; 512 molecules.<br><br>Click to toggle size.

Fig 1. 512 heptanol.
Rectangular box; 512 molecules.

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Name512 heptanol
DescriptionRectangular box; 512 molecules
Temperature (K)298.15
Pressure (Bar)1.013
Equilibration time (ns)2.0
Time Step (ps)0.002
Programgromos96
AuthorsHorta, Fuchs, Van Gunsteren and Hunenberger
Literature Referencehttp://pubs.acs.org/doi/abs/10.1021/ct1006407
Molecule box ID45

Affiliated molecules (1-1 of 1)

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