[gmx-users] Strange in PMF calculation

Li, Shi sli259 at g.uky.edu
Tue Nov 22 21:15:00 CET 2016

Dear Gromacs users,

I am doing some PMF simulations of 2 molecules in vacuum and my resulting
profile has a strange look. I attached an eps files here, anyone can give
me some suggestion on why there is fluctuation at longer distance?

Thank you very much!

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