[gmx-users] Walls and PME

Wheeler S.R. sophia.wheeler at soton.ac.uk
Thu Oct 5 12:33:25 CEST 2017

Hi, I'd like to simulate a membrane NPT with no pbc in the z direction.  I understand I therefore need to use 2 walls.  How does the pme work with walls?  Is pme 2D only if I introduce wall(s)?

Many thanks

Sophia Wheeler
PhD student
Prof J Essex Group
University of Southampton

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