[gmx-users] Re: meta-dynamics in gromacs-4.6

[James Starlight]

Dear Developers!

Today in the download section on gromacs web I've found 2 new verions
of gromacs ( 4.6 and 4.5.6) aviable for downloading. Does it final
releases and in what they differs?Have both of them  native GPU
support ?


James

2013/1/17 James Starlight <jmsstarlight at gmail.com>:
> Thank you!
>
> It's a good news!
>
> James
>
> 2013/1/17 Carlo Camilloni <carlo.camilloni at gmail.com>:
>> Hi,
>>
>> yes I can confirm you that PLUMED will be available for gromacs-4.6!
>> We are currently testing it.
>>
>> Carlo
>>
>>> Message: 6
>>> Date: Wed, 16 Jan 2013 12:54:11 -0500
>>> From: Michael Shirts <mrshirts at gmail.com>
>>> Subject: Re: [gmx-users] meta-dynamics in gromacs-4.6
>>> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>>> Message-ID:
>>>       <CA+zJb=huGQ=3XNHCosfqwSX1MBKmaDU8Bd9U2T7LOojvN7AUkA at mail.gmail.com>
>>> Content-Type: text/plain; charset=ISO-8859-1
>>>
>>> I assume PLUMED will be implemented for Gromacs 4.6, as many PLUMED
>>> developers use Gromacs.  Perhaps any PLUMED lurkers on the list can
>>> speak up. . . .
>>>
>>> On Wed, Jan 16, 2013 at 9:20 AM, Mark Abraham <mark.j.abraham at gmail.com> wrote:
>>>> The GROMACS team has no plans for that. The usual problem here is that
>>>> everybody would like every algorithm included, but that developers with
>>>> time and experience are scarce :-) It's an open source project though, so
>>>> anyone can do whatever they like. We're prepared to consider inclusions to
>>>> the main project.
>>>>
>>>> Note that we're doing a major rework of the code base to C++ in the next
>>>> year (or more), so people implementing new features may wish to consider
>>>> that in their choice to write code :-)
>>>>
>>>> Mark
>>>>
>>>> On Tue, Jan 15, 2013 at 2:26 PM, James Starlight <jmsstarlight at gmail.com>wrote:
>>>>
>>>>> Dear Gromacs developers!
>>>>>
>>>>>
>>>>> There is well-known plugin plumed which can be used for implementation
>>>>> of meta-dynamics simulation if Gromacs-4.5. I wounder to know if it
>>>>> possible to include some meta-dynamics options in the new gromacs
>>>>> release ( similar to inclusion of essential dynamics sampling in
>>>>> previous gromacs versions) ?
>>>>>
>>>>>
>>>>> Thanks for attention,
>>>>> James
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