[gmx-users] Regarding Minimization

Ravi Kumar Venkatraman ravikumarvenkatraman at gmail.com
Fri Nov 4 07:14:35 CET 2011

*Dear all,**
*            I wanted to minimize the energy of a single molecule. How
emtol and emsteps I have to put to get optimised single molecule structure.*
*Thank you**
*With Regards,
Ravi Kumar Venkatraman,
IPC Dept., IISc,
Bangalore, INDIA.

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