[gmx-users] simulating Hexadecane in water
adam.n.fraser at gmail.com
Tue Oct 9 18:23:38 CEST 2007
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 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
I'd greatly appreciate it if someone could give me some pointers on how to
get started here.
Thanks very much,
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users