[gmx-users] Analysis of old xtc file using gromacs-5 tools

Venkat Reddy venkat4bt at gmail.com
Fri Sep 25 20:19:43 CEST 2015


Hi Tsjerk,
Thank you for the quick reply. Yes I can access it with other versions,
like 4.5.5, 5.0.4.

On Fri, Sep 25, 2015 at 11:33 PM, Tsjerk Wassenaar <tsjerkw at gmail.com>
wrote:

> Hi Venkat,
>
> Does it exist? Is it accessible? The XTC format did not change since the
> early years of Gromacs. Can you access it with a different version?
>
> Cheers,
>
> Tsjerk
> On Sep 25, 2015 19:52, "Venkat Reddy" <venkat4bt at gmail.com> wrote:
>
> > Dear all,
> > I have a trajectory file generated by gromacs-4.5.5. Recently I tried to
> > plot radial distribution function using 'gmx rdf' tool available in
> > gromacs-5.1. But I am getting the following error.
> > Error in user input:
> > Invalid command-line options
> >   In command-line option -f
> >     File 'system.xtc' does not exist or is not accessible.
> >
> > I knew that gromacs old trajectories can be analysed using new version
> > tools. But why I am facing this error?
> >
> >
> > With regards
> > Venkat Reddy Chirasani
> > PhD student
> > Laboratory of Computational Biophysics
> > Department of Biotechnology
> > IIT Madras
> > Chennai
> > INDIA-600036
> > --
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-- 
With Best Wishes
Venkat Reddy Chirasani
PhD student
Laboratory of Computational Biophysics
Department of Biotechnology
IIT Madras
Chennai
INDIA-600036


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