Hi,
I have a question that is sort of related. Is there any script out there to convert GROMACS topology file to AMBER parmtop file?
Thanks
Crystal
________________________________________
From: Ray Luo, Ph.D. [ray.luo.uci.edu]
Sent: Monday, August 27, 2012 10:24 AM
To: AMBER Developers Mailing List
Subject: Re: [AMBER-Developers] [AMBER] Can we use Ambertools analysis MD from GROMACS
My guess is that gromacs is free and also fast so a user can bypass
the paid Amber package.
Ray
On Mon, Aug 27, 2012 at 4:50 AM, David A Case <case.biomaps.rutgers.edu> wrote:
> On Mon, Aug 27, 2012, Jason Swails wrote:
>
>> 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.
>
> Feature request here? More and more people seem to be using gromacs.
>
> ...dac
>
>
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Received on Thu Dec 13 2012 - 12:00:03 PST
