[gmx-users] fix a group in truncated octahedron

lammps lammps lammp2forum at gmail.com
Sat Dec 26 07:27:36 CET 2009


I want to fix a group in a truncate octahedron. How can I dealt with the
questions below,

1. I hope the box corresponds to an inscribed circle of cubic of size
40*40*40, how to calculate the box vectors?

2. One spherical rigid body consists of  face-center cubic lattices is fixed
in the center of the box. I do not want to calculate the force and energy
between the paritcles of this rigid body, so that no matter how large force
between them shoud not blow up the rigid body.   How can I do this?

Thanks in advance.
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