[gmx-users] force constant (K_fb)

Alex alexanderwien2k at gmail.com
Mon Jul 15 20:12:45 CEST 2019


Dear Gromacs user,
Using flat-bottom potential I am creating a cubic box (wall) to keep some
of the molecules in a specific region of the box. I wonder if it is matter
how large or small the force constant (k_fb) be as far as the created wall
does the job well?
For instance I just chose the 4184 (Kj mol-1 nm-2) for k_fb with no reason
and it works fine in my case, do you think I should check if any other
smaller k_fb works and use the smaller one?

Regards,
Alex


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