[gmx-users] Artificial Restraint/Wall/Potential at box top
mark.j.abraham at gmail.com
Wed Oct 14 20:34:59 CEST 2015
You may want to consider the flat-bottomed position restraints in GROMACS 5
On Wed, Oct 14, 2015 at 8:26 PM shivangi nangia <shivangi.nangia at gmail.com>
> I have a system that contains 2000 CG POPC and 100 (21 AA) peptides.
> I want to apply a dummy wall at the top of the box so that my peptides do
> not jump out of the box via PBC and re-enter the box from the bottom and
> stick to the bilayer.
> Is there a way to do that in GROMACS? distance restraint?
> Kindly suggest.
> Thanks in advance,
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