[gmx-users] trr file time/frame information

Mark Abraham mark.j.abraham at gmail.com
Mon Dec 8 20:14:29 CET 2014


On Mon, Dec 8, 2014 at 4:44 PM, gromacs query <gromacsquery at gmail.com>
wrote:

> Hi Mark,
>
> Thanks I used gmxcheck and it says:
>
> Reading frame       0 time 50000.000
>
> which sounds correct
>
> And also..
>
> >> That depends which tool you used, how you used it, etc
>
> Could you please tell how and what affects this?


I could, but that doesn't sound like an efficient use of our time. Have you
started by consulting the help for the tool you used? e.g. your_tool -h


> Any link may help (gromacs
> archive was really helpful but it seems no more supported)
>

Many people have automatically archived it, including us, and Google has
more links to all of them then you can count ;-)

Mark


>
> Thanks
>
> On Mon, Dec 8, 2014 at 3:36 PM, Mark Abraham <mark.j.abraham at gmail.com>
> wrote:
>
> > Hi,
> >
> > That depends which tool you used, how you used it, etc. You should use
> gmx
> > check and perhaps gmx dump to see what is there.
> >
> > Mark
> >
> > On Mon, Dec 8, 2014 at 4:31 PM, gromacs query <gromacsquery at gmail.com>
> > wrote:
> >
> > > Dear All,
> > >
> > > I combined the splitted trajectories (trr) from 50ns to 100ns and got
> > > combined trajectoty trr file. I am wondering whether the new combined
> > > trajectory will start from 0ns or it will retain time/frame information
> > > which 50ns in this case?
> > >
> > > Thanks
> > > JIom
> > > --
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