Re: [AMBER] New Force Field

From: <sribone.fcq.unc.edu.ar>
Date: Wed, 01 Apr 2015 11:47:38 -0300

Yes, but your data would be published but that time.
    Sergio.
> 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
>> _______________________________________________
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>>   //
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Received on Wed Apr 01 2015 - 08:00:06 PDT
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