[gmx-users] evaluating stability

[Dave M]

Hi All,

I have a system and trying to see self-assembly of polymer chains. I can
simulate a system with two, three or four polymer chains. I am wondering is
there any way I can quantify in terms of energy that if I add more polymer
chains (two vs three vs four so on...) whether my complex system gets
stable or unstable. Calculating potential energy of system (+ water ions)
would be crude I guess.

I will really appreciate any ideas.

Thanks

Dave