[gmx-users] simulating hydrocarbons in water

[Adam Fraser]

Hello,

I'm very new to Gromacs, and I am interested in simulating the interactions
of 2 hexadecane (C16H34) molecules in water (SPC/E specificall).  I've spent
some time experimenting with tutorials in Gromacs, but I've found little
help in non-protein simulations like this one.

I've built topologies for hexadecane compatible with NAMD, so I figure I
should be able to do the same in Gromacs but I'm fuzzy on how to go about
doing so (what files to edit).  I was also hoping to get some input on which
forcefield would be best for this sort of system.

I'd greatly appreciate it if someone could give me some pointers on how to
get started here.

Thanks very much,
Adam
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