[gmx-users] On Decane coordinate file

Bao Kai paeanball at gmail.com
Tue Apr 16 12:51:59 CEST 2013

Dear all,

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.

Best Regards,

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