[gmx-users] gromacs wall parameters
kgp.amit at gmail.com
Tue Oct 20 04:52:18 CEST 2009
I am trying to model an impenetrable wall for my simulation at z=0. I read
the manual where this thing is discussed. I am still doubtful about the
options to use.
It seems that the wall parameters are designed to figure out the repulsive
potential function based on wall_type, wall_atomtype, wall_density . So is
it feasible to give any values to the wall parameters except for a really
really low value for wall_density . I am planning to use the wall surface
density for 10-4 potential.
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