TINKER – Software Tools for Molecular Design Version 4.2 June 2004 Copyright © 1990-2004 Jay William Ponder TINKER is a modular program package for molecular mechanics-based potential energy calculations, geometry optimization, molecular dynamics simulation, distance geometry and structural analysis. Selected References for the TINKER Package: P. Ren and J. W. Ponder, J. Phys. Chem. B, 107, 5933-5947 (2003) P. Ren and J. W. Ponder, J. Comput. Chem., 23, 1497-1506 (2002) R. V. Pappu, R. K. Hart and J. W. Ponder, J. Phys. Chem. B, 102, 9725-9742 (1998) M. E. Hodsdon, J. W. Ponder and D. P. Cistola, J. Mol. Biol., 264, 585-602 (1996) C. E. Kundrot, J. W. Ponder and F. M. Richards, J. Comput. Chem., 12, 402-409 (1991) J. W. Ponder and F. M. Richards, J. Comput. Chem., 8, 1016-1024 (1987) Conditions for Use of the TINKER Package: The TINKER software is registered under U.S. Copyright Law. The source code was developed by the author and is distributed solely through the Department of Biochemistry and Molecular Biophysics at Washington University. Its use is subject to the following conditions: (1) Use of this software is restricted to the individual, laboratory or organization to which it is supplied. The package and portions thereof may not be sold nor may copies be distributed to third parties without the express permission of the author and Washington University. (2) This software package is provided on an "as is" basis. The author in no way warrants either this software or results it may produce. (3) The author is under no obligation to provide any services by way of maintenance, updates or corrections for this software. (4) Reports or publications resulting from use of this software package must contain an acknowledgment in the form commonly used in academic research.