I don’t think the gravitational term will add much to the calculations. Since the system is solvated, it might be helpful to consider the Coriolis effect for larger box sizes.
Pete
On Apr 1, 2015, at 8:58 AM, Jiri Sponer <sponer.ncbr.muni.cz> wrote:
> And Higgs boson correction? EU parliament recently voted to ban
> force fields without such corrections starting April 31, 2018.
> On the other hand, we can get a big joint grant for it.
> I doubt NASA can compete.
> Jiri
>
>
>
> On Wed, 1 Apr 2015, Jason Swails wrote:
>
>> Date: Wed, 1 Apr 2015 08:36:25 -0400
>> From: Jason Swails <jason.swails.gmail.com>
>> Reply-To: AMBER Mailing List <amber.ambermd.org>
>> To: AMBER Mailing List <amber.ambermd.org>
>> Subject: Re: [AMBER] New Force Field
>> On Wed, Apr 1, 2015 at 8:25 AM, Adrian Roitberg <roitberg.ufl.edu> wrote:
>>
>>> This is excellent new, thanks !
>>>
>>> I have a exobiology grant from NASA to fold proteins in mars' gravity
>>> field. Would ff14SBgrav work there ? I tried and got an error.
>>>
>>
>> Yes, unfortunately the external gravitational field is hard-coded to model
>> Earth's field. However, after we get quantum gravity figured out and
>> implemented, we will generalize the external treatment of gravity with the
>> aim of probing molecular activity near the event horizon (of course in such
>> extreme gravitational conditions, the strength of gravity may not be
>> constant even over microscopic distances).
>>
>> All the best,
>> Jason
>>
>> --
>> Jason M. Swails
>> BioMaPS,
>> Rutgers University
>> Postdoctoral Researcher
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>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
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Received on Wed Apr 01 2015 - 06:30:03 PDT
