Re: [AMBER] Can we use Ambertools analysis MD from GROMACS

From: Pawel <pawelrc.gmail.com>
Date: Mon, 27 Aug 2012 08:47:58 -0400

Another tool that works well for converting between trajectory formats
is the MDAnalysis package for python. Look here:

http://packages.python.org/MDAnalysis/documentation_pages/coordinates/init.html
http://code.google.com/p/mdanalysis/wiki/Examples

Pawel

On 08/27/2012 07:02 AM, Jason Swails wrote:
> On Mon, Aug 27, 2012 at 4:52 AM, Acoot Brett <acootbrett.yahoo.com> wrote:
>
>> Dear All,
>>
>> Can we use Ambertools 12 analyze the MD trajectory got by GROMACS? If can,
>> how can we change the trajectory file format so theat it is recognizable by
>> Ambertools?
>>
> You can probably use vmd to convert the gromacs-trajectory file into a
> format that Amber can read (dcd, Amber netcdf, etc.) Natively, however, I
> don't think that gromacs makes a trajectory format readable by Amber.
>
> HTH,
> Jason
>

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Received on Mon Aug 27 2012 - 06:00:03 PDT
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