AMBER Archive (2009)

Subject: [AMBER] mm-GBSA from implicit

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Dear Sir/Madam, I would like to do a mm-GBSA analysis. According to the tutorial, I should firstly do the explicit solvent simulation for the complex. Is it possible to do the simulation with implicit solvent, and extract the mdcrd files for mm-GBSA analysis? Best regards, CatSee all the ways you can stay connected to friends and family
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• Previous message: Catein Catherine: "[AMBER] implicit and explicit simulation: salt effect"
• Next in thread: Carlos Simmerling: "Re: [AMBER] mm-GBSA from implicit"
• Reply: Carlos Simmerling: "Re: [AMBER] mm-GBSA from implicit"
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