RESP Tool, Version 1.2

This graphical interface for the program RESP makes setting up restricted electrostatic potential fitting, the standard method of obtaining atom partial charges for the AMBER force field. Results can be loaded, mapped onto the molecule and displayed graphically. We recommend that you perform your complete force field parametrizations using Paratool which uses RESPtool as a module.

Authors:

Note: The external program RESP (Bayly et al. 1996) must be installed on your system. It can be obtained free of charge from

Christopher I. Bayly, Piotr Cieplak, Wendy D. Cornell and Peter A. Kollman, A Well-Behaved Electrostatic Potential Based Method Using Charge Restraints for Deriving Atomic Charges: The RESP Model. J. Phys. Chem. 97 (1993) 10269-10280.