[gmx-users] Removal of angular velocity

Michael Shirts mrshirts at stanford.edu
Thu Aug 7 22:29:01 CEST 2003

Hi, all-

If I understand the code correctly, GROMACS removes center of mass angular
momenum for periodic boundary conditions.  Is this the case?  If so, what is
the rationale for this?  Periodic boundary conditions are not isotropic for
rotations, so I wouldn't think that it would be a good idea.

Michael Shirts
Pande Group
Stanford University

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