Re: [AMBER] SPAM bulk solvent free energy parameters

From: Daniel Roe <>
Date: Thu, 9 May 2019 14:39:26 -0400


Look for the variables DG_BULK_ and DH_BULK_. These are used to adjust
calculated DG and DH. See equation 3 in the original SPAM reference:


On Tue, May 7, 2019 at 9:37 AM Debarati DasGupta
<> wrote:
> 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.
> Thanks
> Regards
> _______________________________________________
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Received on Thu May 09 2019 - 12:00:02 PDT
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