The deformation of spacetime caused by gravity decreases the flow of
time and therefore accelerated MD simulations.
This method is 1000 times more efficientthan the use of new GPU clusters.
Abdennour
Le 01/04/2015 15:41, Carlos Simmerling a écrit :
> Hi Alessandro,
> folding under black hole conditions is actually very easy in the current
> version of Amber, you don't have to wait for the new force field. Just put
> all atoms at the origin and you're done.
> hope that helps,
> carlos
>
> On Wed, Apr 1, 2015 at 9:18 AM, Alessandro Contini <
> alessandro.contini.unimi.it> wrote:
>
>> Hi Jason,
>> actually I'm trying to use ff14SBgrav to model protein folding at black
>> hole conditions. Do you think it might work?
>>
>> Regards
>>
>> Alessandro
>>
>>
>> Il 01/04/2015 14:58, Jiri Sponer ha scritto:
>>> 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
>>>> _______________________________________________
>>>> AMBER mailing list
>>>> AMBER.ambermd.org
>>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>>
>>>>
>>>
>>> _______________________________________________
>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>> --
>> Alessandro Contini, PhD
>> Dipartimento di Scienze Farmaceutiche
>> Sezione di Chimica Generale e Organica "A. Marchesini"
>> Via Venezian, 21 20133 Milano
>> tel. +390250314480
>> e-mail alessandro.contini.unimi.it
>> skype alessandrocontini
>>
>> http://www.scopus.com/authid/detail.url?authorId=7003441091
>> http://orcid.org/0000-0002-4394-8956
>> http://www.researcherid.com/rid/F-5064-2012
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
> //
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Received on Wed Apr 01 2015 - 07:30:02 PDT
