PURDUE,UNIVERSITY

OPTS (Optim i/.ed Potentials for Liquid Simulations) is based on a force field developed by the research group of Bill Jorgensen now at Yale University and previously at Purdue University. Like AMBER, the OPLS force field is designed for calculations on proteins an d nucleic acids. It in troduces non bonded in leraclion parameters that have been carefully developed from extensive Monte Carlo liquid sim u lation s of small molecules. These n on-bonded interactions have been added to the bonding interactions of AMBER to produce a new force field that is expected to be better than AMBER at describing simulations w here the solvent isexplic-... 

E. Flanigan, Fligh Performance Eiquid Chromatography in the Production and Quality Control of Salmon Calcitonin, Purdue University, West Lafayette, Ind., 1991, p. 207. 

R. K. Andren and co-workers, "Removal of Explosives from Wastewater", in Proceedings of the 30th Purdue Industrial Waste Conference, Purdue University, Lafayette, Ind., 1975. 

Data Book, Vol. 2, Thermophysical Properties Research Center, Purdue University, W. Lafayette, Ind., 1964, Chapt. 1. 

C. Y. Ho, R. W. Powell, and P. E. Liley, Standard Reference Data on the Thermal Conductivity of Selected Materials, part 3, final report NBS-NSR05 Contr. CST-1346, Purdue University, Lafayette, Ind., Sept. 1968. 

Computerized High Temperature Materials Properties Data-base Purdue University Purdue University (CINDAS) compiled from Hterature and evaluated reference data for high temperature materials... 

Material Properties Bibhographic Data Purdue University Purdue University (CINDAS) thermophysical, mechanical, and electronic properties of materials bibhographic references and author iadex... 

W. D. Downey and P. O Rouke, Retail Fertiliser Plant Costs Efficiemy and Proftability, Department of Agricultural Economics, Purdue University, Lafayette, Ind, Apr. 1976. 

D. L. Ford, "Application of the Total Carbon Analy2er for Industrial Wastewater Evaluation" ia Proceedings 23rdIndustrial Waste Conference, Purdue University, 1968. 

Victor M. Goldschmidt, Ph.D., P.E., Professor of Mechanical Engineering, Purdue University, West Lafayette, Indiana (Section 11, Heat-Transfer Equipment)... 

George T. Tsao, Ph.D., Director, Laboratory for Renewable Resource Engineering, Purdue University Member, American Institute of Chemical Engineers, American Chemical Society, American Society for Microbiology (Section 24, Biochemical Engineering)... 

---