AMBER Archive (2009)

Subject: Re: [AMBER] using Gromacs for analysis

From: Bala subramanian (bala.biophysics_at_gmail.com)
Date: Fri Feb 27 2009 - 12:16:46 CST

Hi,

I have nt done it myself. Check in Gromacs user forum and sometime back
there was a discussion about a script amb2gmx that converts amber traj to
gromacs traj. You can also try in vmd by making pdbs of amber trajectory and
saving it in gromacs format. One known issue is that gromacs uses distance
in nm but amber in Ang. Make sure this conversion is done properly.

Balasubramanian

On Fri, Feb 27, 2009 at 6:03 PM, oguz gurbulak <gurbulakoguz_at_gmail.com>wrote:

> Dear All,
>
> Is it possible to use Amber trajectory files ( mdcrd and restart ) in
> Gromacs for analysis ? Could you give me the information about this
> procedure ? I'm waiting for your suggestions.
>
> Thank you very much for your help !
>
> Sincerely
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