That sounds about right--the inclusion of specific 1:4 scaling factors was
a necessity for GLYCAM, which wants to use 1.000 in most cases. I added
the ability to tune the factors to mdgx about that same time, but I don't
think I got much mileage out of that extra term in force field fitting.
On Wed, Apr 4, 2018 at 9:28 AM, Karl Kirschner <k.n.kirschner.gmail.com>
wrote:
> Hi all
>
> I have a historical question - when (or what version) of Amber/AmberTools
> enabled the use of 1-4 scaling factors for specific torsion parameters
> within the force-field dat files (i.e. in the torsion right-hand-side
> comment section)? For example, Glycam06 and Lipid14 now uses that. I think
> I narrowed it down to AmberTools 13 (ca 2012?), but I wanted to verify
> that.
>
> Thanks,
> Karl
>
> Karl. N. Kirschner, Ph.D.
> International Chair
> University of Applied Sciences Bonn-Rhein-Sieg
> Grantham-Allee 20, 54757 Sankt Augustin, Germany
> Twitter: .k_n_kirschner <https://twitter.com/k_n_kirschner>
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Received on Wed Apr 04 2018 - 17:00:02 PDT
