Hi Pawel,
Got it. Thanks for the valuable information.
Best regards,
Pengfei
> On Oct 10, 2016, at 10:13 AM, Pawel Janowski <pawelrc.gmail.com> wrote:
>
> 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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>>
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Received on Mon Oct 10 2016 - 09:00:03 PDT
