Hi Pengfei,
Redq is an experimental potential with a set of reduced charges that Dave
Case created for playing with Phenix-Amber refinement. It was meant to
compensate for bulk water in crystals not being modelled. It's not a
published thing and from what I played with it, did not produce results any
better than ordinary ff14SB.
Pawel
On Mon, Oct 10, 2016 at 8:05 AM, Pengfei Li <ldsoar1990.gmail.com> wrote:
> Dear AMBER developers,
>
> I am reading some articles about charge scaling nonpolarized force field
> these days. I guess the ff14SB.redq force field in AMBER may have some
> relationships with it. But I could not find any related references in the
> leaprc.ff14SB.redq file. Does anybody know the details about the reduced
> charges? Thanks!
>
> Best regards,
> Pengfei
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Received on Mon Oct 10 2016 - 08:30:04 PDT
