[gmx-users] g_sans calculation

[João Henriques]

I understand your pain, and the same could be said about gmx saxs as well.
As Micholas said, CRYSON might be a good choice as far as implicit solvent
methods go. Please notice that CRYSON is closed source, but it is well
documented in the literature (it is basically a reimplementation of
CRYSOL*).

*Svergun, D., Barberato, C., & Koch, M. H. (1995). J. Appl. Crystallogr.,
28(6), 768-773

J


On Fri, Feb 23, 2018 at 9:14 PM, Udaya Dahal <dahal.udaya at gmail.com> wrote:

>  Dear Gromacs Users,
>
> I am calculating the g_sans in the simulation but I am not able to find how
> it is calculated. The help content is minimal. I am just wondering if
> anyone has looked into how it is calculated (any reference to algorithm?).
>
> Regards,
> --
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