[AMBER] SPAM bulk solvent free energy parameters

From: Debarati DasGupta <debarati_dasgupta.hotmail.com>
Date: Tue, 7 May 2019 13:36:51 +0000

Hi Users,
I have a query, I went through the codes (SPAM folder) in cpptraj and could not understand where in these codes is the bulk dG and dH values of water / or any solvent is being used?

There is a dgbulk and dhbulk keyword used in SPAM utility but I did not find these terms getting used in the calculations.

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Received on Tue May 07 2019 - 07:00:02 PDT
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