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'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.
<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><span class="sg">Adam</span>