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7 Free Energies: 7.4 Umbrella Sampling Example
7.4 Umbrella Sampling Example计算丙氨酸二肽 Phi/Psi 旋转的 PMF http://ambermd.org/tutorials/advanced/tutorial17/index.php 1) Generating and Relaxing the Initial Structure 2) Running the Umbrella Sampling Calculations 现在我们有了一个轻松的起始结