Hello,<br><br>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.
<br><br>I have 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. I also don't know what forcefield I should be using for this sort of system.
<br><br>I'd greatly appreciate it if someone could give me some pointers on how to get started here.<br><br>Thanks very much,<br>Adam<br>