AMBER Archive (2009)

Subject: [AMBER] Re: using Gromacs for analysis

• Previous message: David A. Case: "Re: [AMBER] How can I use the charge I calculated (using mol2 file) ?"
• In reply to: oguz gurbulak: "[AMBER] using Gromacs for analysis"
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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_at_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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• Previous message: David A. Case: "Re: [AMBER] How can I use the charge I calculated (using mol2 file) ?"
• In reply to: oguz gurbulak: "[AMBER] using Gromacs for analysis"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]