[gmx-users] Steepest Descents converged to machine precision in XX steps

Nikhil Maroli scinikhil at gmail.com
Tue Mar 7 15:01:27 CET 2017

Dear Justine,

My simulation system is a protein on the surface of the lipid layers, which
is created using charmm-gui. There are no overlapping between atoms or
whatsoever. How can i overcome this issue?

I have remodelled the system by keeping more distance between protein and
lipids and that time maximum force on atoms came to be 4E18.


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