[gmx-users] Gromacs do oscillatory shear/box deformation?

[Smith, Micholas D.]

Greetings gromacs community


I've be thinking at looking at some viscoelastic properties and was hoping to avoid the slow convergence of the green-kubo method and use NEMD methods; however, from the manual I can't tell if the deformation options in for the mdp file are oscillatory or constant. So put simply: Does gromacs support oscillatory shear/deformations or do I need to use something else?


Thanks,


-Micholas



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Micholas Dean Smith, PhD. MRSC
Post-doctoral Research Associate
University of Tennessee/Oak Ridge National Laboratory
Center for Molecular Biophysics