Based on physical model of two-qubit quantum computer, two kinds of rules were proposed by solving single-body and two-body the time-dependent Schrdinger equation for designing nuclear magnetic resonance pulse sequence parameter of Grover quantum algorithm. Specified parameters were given through two kinds of designing rules and numerical simulations were carried out as specifying parameters. Results from the simulations show that target state is a pure basis state after running specified parameters by solving two-body the time-dependent Schrdinger equation and the expectation value of z-component of target state agrees with the theoretical values with a precision about 10－3. It is confirmed that rules of designing parameter is correct.