RE: [gmx-users] difference between pbc = full and pbc =xy

2008-04-03 Thread Berk Hess
hu, 3 Apr 2008 11:55:22 +0800 > Subject: [gmx-users] difference between pbc = full and pbc =xy > > Dear all, > > I want to simulate an infinite inorganic surface in gmx 3.3.3 recently. As I > know, pbc = full is required for the bonded interaction on the edges. When I > check th

[gmx-users] difference between pbc = full and pbc =xy

2008-04-02 Thread Bo Zhou
Dear all, I want to simulate an infinite inorganic surface in gmx 3.3.3 recently. As I know, pbc = full is required for the bonded interaction on the edges. When I check the newly CVS version, a new set named "pbc = xy" is implemented. I wonder if there is something different between the two sets.