[gmx-users] evaluating stability
dave.gromax at gmail.com
Fri Dec 8 21:03:29 CET 2017
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.
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