Thank you Jason,
I have an additional question. Using cut=8.0 implies a cutoff distance of 8 Angstrom for non-bonded interactions using PME. Is there any smoothing performed? If yes, how?
Best regards
George
On 16 Apr 2013, at 21:07, Jason Swails <jason.swails.gmail.com> wrote:
> On Tue, Apr 16, 2013 at 2:24 PM, George Tzotzos <gtzotzos.me.com> wrote:
>
>> The Amber 11 manual, p.19 states
>> "Non-additive" force fields based on atom-centered dipole polarizabilities
>> can also be used. These add a "polarization" term…etc"
>>
>> I assume that sander by default does not use such polarisation term.
>>
>> Can anyone please confirm that this is the case?
>>
>
> This is correct. This is specified in the topology file now.
>
> All the best,
> Jason
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
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Received on Tue Apr 16 2013 - 13:30:02 PDT
