[AMBER] Sander minimization of protein-ligand complex

From: Manjula Saravanan <manjusimba.gmail.com>
Date: Wed, 6 Jan 2016 10:51:23 +0530

Dear Sir / Madam,
                 I have a few doubts about sander minimization,
1. What is the range of suggested maximum minimization step (maxcyc) for
 minimizing a protein ligand complex for classical and QM/MM minimization.
2. How to check the convergence criteria for the sander minimization or how
to check that my protein ligand complex is minimized??
I need some elaborate explanation for these questions. Please help me on
Thanks in well advance.
*With Best Regards*
*S. Manjula*
*Research Scholar*
*Laboratory of Biocrystallography and Computational Molecular Biology*
*Department of Physics*
*Periyar University*
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Received on Tue Jan 05 2016 - 21:30:03 PST
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