Minimization and Optimization with a Force Field

Table of Contents

{1} Minimization and Optimization with a Force Field

{2} Fundamental Concepts

{3} Fundamentals...

{4} Fundamentals...

{5} Fundamentals...

{6} Fundamentals...

{7} Fundamentals...

{8} Fundamentals...

{9} Fundamentals...

{10} Fundamentals...

{11} Fundamentals...

{12} Fundamentals...

{13} Fundamentals...

{14} First Derivative Methods

{15} First Derivative Methods...

{16} Second Derivative Methods

{17} Second Derivative Methods...

{18} Second Derivative Methods...

{19} Which method(s) to use?

Email: wampler@bchiris.bmb.uga.edu

Home Page: http://bmbiris.bmb.uga.edu/BMB8200

References:

Insight II Manual, Chapter 4, Minimization

Baysal, C., Meirovitch, H., and Navon, I.M. (1999), J. Comp. Chem. 20, 354-364.

Bevington, P. R. (1969) Data Reduction and Error Analysis for the Physical Sciences, McGraw-Hill Book Company, New York.