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30 August 2022

12 May 2022

  • curprev 14:3414:34, 12 May 2022 Admin talk contribs 11,224 bytes +11,224 Created page with "= MM-PBSA free energy estimation tutorial = <div>Author: Chengwen Liu</div> <div>Latest update: Dec. 6th, 2017</div> == a. Theory preparation == A very good tutorial can be found in [http://ambermd.org/tutorials/advanced/tutorial3/ http://ambermd.org/tutorials/advanced/tutorial3/]. I will suggest you to first read this tutorial so you can get a basic understanding of MM-PB/GBSA. The following steps will guide you to b) set up the complex system, c) run MD simulati..."
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