[gmx-users] regarding frames in gromacs

Mark Abraham mark.j.abraham at gmail.com
Wed Nov 26 11:13:31 CET 2014


Hi,

trjconv has lots of ways to get subsets of your trajectory, and that
includes ways to get a single frame.

Mark

On Wed, Nov 26, 2014 at 5:27 AM, RINU KHATTRI <nickname.mittu at gmail.com>
wrote:

> hi mark
>  i am just asking ..how to the extract  frames from xtc or trr files
> because i want to plot graph frame vs ..
> thanks in advance
>
> On Tue, Nov 25, 2014 at 5:41 PM, Mark Abraham <mark.j.abraham at gmail.com>
> wrote:
> > Hi,
> >
> > Extracting the frame to a file is different from doing anything with
> g_rms,
> > so I don't know what you are asking.
> >
> > Mark
> >
> > On Tue, Nov 25, 2014 at 11:46 AM, RINU KHATTRI <nickname.mittu at gmail.com
> >
> > wrote:
> >
> >> thank you mark
> >> but still my problem is unresolved how can i extract the frame g_rms
> >> g_energy calculate the time in ps and rest of the quantities
> >> but frames?
> >> thanks in advance
> >>
> >> On Tue, Nov 25, 2014 at 3:32 PM, Mark Abraham <mark.j.abraham at gmail.com
> >
> >> wrote:
> >> > Hi,
> >> >
> >> > There are many analysis and post-processing tools available in
> Gromacs.
> >> You
> >> > will learn about how to use some of them when you take advantage of
> the
> >> > great tutorial material people have provided for Gromacs. Also,
> chapter 8
> >> > of the manual provides an overview of those analysis tools. This will
> >> help
> >> > you find information more efficiently.
> >> >
> >> > Mark
> >> >
> >> > On Tue, Nov 25, 2014 at 9:51 AM, RINU KHATTRI <
> nickname.mittu at gmail.com>
> >> > wrote:
> >> >
> >> >> hello every one
> >> >> i am working on complex with popc membrane i want to extract the
> >> >> frames in gromacs because i want to plot graph frame vs
> >> >> and for free energy calculation by some softwares i need  frames
> >> >> how  can i extract it
> >> >> kindly help
> >> >> thanks in advance
> >> >> --
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