Re: [AMBER] Converting Gromacs coordinate file to Amber input files for molecular dynamics

From: Alex Rodriguez <>
Date: Wed, 21 Mar 2012 18:13:23 +0100


I suggest you to employ editconf (or trjconv) gromacs utilities to convert
your gro file to pdb and then employ LEAP to generate an AMBER topology and
coordinate files. I'm not sure it will work directly (depends on many
things) but with a little effort is should do it.


On Wed, Mar 21, 2012 at 6:00 PM, Adam Jion <> wrote:

> Hi!
> I have the coordinate file (.gro) of a Gromacs simulation box (i.e.
> protein solvated in water).
> Can I convert this file into something that can be used as input for
> molecular dynamics simulation in Amber?
> Regards,
> Adam
> ps. I have simulated the system in Gromacs for ~ 100 ns, and wish to
> continue the same simulation in Amber
> pps. The simulation in Gromacs uses an Amber force-field. So blow-ups are
> unlikely.
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Received on Wed Mar 21 2012 - 10:30:02 PDT
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