[AMBER] Re: using Gromacs for analysis

From: oguz gurbulak <gurbulakoguz.gmail.com>
Date: Mon, 2 Mar 2009 18:17:45 +0200

I converted the mdcrd ( coordinates, box sizes ) and mdvel ( velocities )
 files for every md record into the pdb format using ptraj in Amber. Can I
use these pdb files in Gromacs for perforing analysis ? Or Will I need to
have some extra files to use analysis programs of Gromacs ? I will only use
g_msd , g_velacc , g_energy for calculating viscosity. I'm waiting for your
advices.

Sincerely
2009/2/27 oguz gurbulak <gurbulakoguz.gmail.com>

> 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
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Mar 04 2009 - 01:10:32 PST
Custom Search