AMBER Archive (2007)

Subject: AMBER: Tutorial 3: MM-PBSA.....implicit solvent for MD calculations?

From: Catein Catherine (askamber23_at_hotmail.com)
Date: Fri May 04 2007 - 03:13:44 CDT

Dear Sir/Madam,

I am trying to calculate the Gibbs free energy follow tutorial three:

I noted explicit solvent approach was used to get the MDCRD for PBSA
analysis. I could like to ask if it is possible to use implicit solvent
approach instead to do the molecular dynamics calculations and get the mdcrd
files for further analysis instead?

Best regards,

Cat

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