[gmx-users] Re: meta-dynamics in gromacs-4.6
carlo.camilloni at gmail.com
Wed Jan 16 23:07:36 CET 2013
yes I can confirm you that PLUMED will be available for gromacs-4.6!
We are currently testing it.
> 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>
> <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 :-)
>> 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,
>>> gmx-users mailing list gmx-users at gromacs.org
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