Hi,
I would use a flat-bottomed position restraint in Z-direction for this
purpose, see the Gromacs manual.
Cheers,
Jochen
Am 25.02.18 um 10:17 schrieb Adriano Santana Sanchez:
Hi,
I am trying to run a SLAB of water with a solute and I want to put a wall
on the z axis edge.
My problem is
Hi,
I am trying to run a SLAB of water with a solute and I want to put a wall
on the z axis edge.
My problem is how to define *wall_atomtype *in the topology file or in the
.itp
I am using oplsaa.ff force field with SPC/E water.
This is a section of the .mpd:
Neighborsearching and short-range
