[gmx-users] Nonsymmetric Potentials

[Mark T. Lusk]

I would like to use GROMACS for an assembly of elastic disks, and the
associated potential is therefore not symmetric:

V = 0   for   r > rcrit

V = k/2(r-rcrit)^2   for    r < rcrit

Can GROMACS be used for such potentials? I think that it may be possible to
use table-based interactions for this potential, and I am hoping that
someone can point me towards information on this topic.

Any help here would be greatly appreciated.

Best,

Mark

Mark T. Lusk
Associate Professor
Division of Engineering
Colorado School of Mines
Golden, CO  80401
Voice: 303-273-3675
Fax: 303-273-3602
mlusk at mines.edu
http://egweb.mines.edu/mlusk/mlusk.html