[gmx-users] On Decane coordinate file
paeanball at gmail.com
Tue Apr 16 12:51:59 CEST 2013
I am trying to do some two phase simulations with Decane molecules and some
other smaller molecules.
When I did simulations with smaller molecules, I specifies the properties
based on each atom, while I just realized it is really not desirable to do
it with Decane molecules ( 34 atoms each molecule).
I am wondering if anyone could provide one coordinate file and the itp ( or
.top ) file for the Decane simulation if you have ever done it before. I
did not find very detailed Decane molecule models.
Thank you very much.
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