[gmx-users] Artificial Restraint/Wall/Potential at box top

shivangi nangia shivangi.nangia at gmail.com
Wed Oct 14 20:25:50 CEST 2015


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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