[gmx-developers] PBC with p2sub1 from pbc_dx() modifications

chris.neale at utoronto.ca chris.neale at utoronto.ca
Mon May 29 21:36:20 CEST 2006

I intend to model a membrane using P2sub1(-x,y+1/2,-z) PBC as in Dolan, Venable,
Pastor, and Brooks Biophys. J. Vol. 82 May 2002, 2313-2325. This requires a
modified PBC such that lipids exiting the box from the upper leaflet enter the
box in the lower leaflet of the membrane.

Do I need to do anything other than make the appropriate changes in pbc_dx() in
src/gmxlib/pbc.c? i.e. will this take care of things like the nonbonded list,
PME, pressure scaling, etc.?


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