512 ethylbutanoate Pre-Equilibrated System Information

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

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

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Name512 ethylbutanoate
DescriptionRectangular box; 512 molecules
Temperature (K)298.15
Pressure (Bar)1.013
Equilibration time (ns)0.5
Time Step (ps)0.002
Programgromos96
AuthorsOostenbrink, Villa, Mark and Van Gunsteren
Literature Referencehttp://www3.interscience.wiley.com/journal/109560904/abstract
Molecule box ID20

Affiliated molecules (1-1 of 1)

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