[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

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
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Received on Wed Mar 04 2009 - 01:10:32 PST
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