[gmx-users] EM - Starting point on the hypersurface

Marzinek, Jan j.marzinek10 at imperial.ac.uk
Tue Jul 19 12:23:14 CEST 2011

Dear Gromacs Users,

As I know for the Energy Minimization algorithms both Steepest Descent and Conjugate Gradient will not provide a global minimum of the potential energy but only a local minium.
Does anyone know how Gromacs choose the starting point on the potential energy hypersurface for the beginning of Energy Minimization?

Thank you in advance,

Jan Marzinek

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