[gmx-users] spherical box
lindahl at stanford.edu
Thu Jun 5 10:08:01 CEST 2003
No, that's a physical impossibility since there is no crystal class
with spherical symmetry.
Perhaps you're thinking of 'droplet' boundary conditions, but they are
really falling out of popularity compared to accurate Ewald summation
in periodic boxes. We've never bothered to implement it for that
reason, and I doubt we will in the future (it's not difficult for
somebody else to do, though).
On Wednesday, June 4, 2003, at 09:29 PM, s8026264 wrote:
> Dear All
> Can Gromacs generate spherical box ?
> Mojtaba Alaei
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> gmx-users at gromacs.org
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