[gmx-users] Problems with trjconv

[Shantanu Maheshwari]

If you want to take out only one frame then you can use -dump option.

trjconv -f trajcentrada.trr -dump 1646 -o 1646ps.gro

On Sun, Nov 15, 2015 at 11:39 PM, Mishelle Oña <samimishu at hotmail.com>
wrote:

> Yes, but I am not converting all the .trr file to gro I wanted to take
> only one frame of the .trr and make it gro. That´s why my command is
> trjconv -f trajcentrada.trr -b 1646 -e 1646 -o 1646ps.gro
> if the command line above is wrong :( what is the command I should use for
> taking out only one frame of a trajectory file in gro format
> Mishelle
>
> > From: mark.j.abraham at gmail.com
> > Date: Sun, 15 Nov 2015 22:06:38 +0000
> > To: gmx-users at gromacs.org
> > Subject: Re: [gmx-users] Problems with trjconv
> >
> > Hi,
> >
> > Your question had one-word answer, which I gave!  :-) If the size of your
> > files is worth thinking about, then converting them to gro format is not
> a
> > great idea.
> >
> > Mark
> >
> > On Sun, 15 Nov 2015 21:56 Mishelle Oña <samimishu at hotmail.com> wrote:
> >
> > > Eh, I don´t understand what you mean, please  explain me .Mishelle:)
> > >
> > > > From: mark.j.abraham at gmail.com
> > > > Date: Sun, 15 Nov 2015 19:28:47 +0000
> > > > To: gmx-users at gromacs.org
> > > > Subject: Re: [gmx-users] Problems with trjconv
> > > >
> > > > Hi,
> > > >
> > > > Certainly. You do not want to convert non-trivial trajectories to
> text
> > > > format.
> > > >
> > > > Mark
> > > >
> > > > On Sun, Nov 15, 2015 at 8:20 PM Mishelle Oña <samimishu at hotmail.com>
> > > wrote:
> > > >
> > > > > well, I check and it is the same line of command. The biggest file
> has
> > > > > more weight than the .traj file and it is only a .gro file . Is
> this
> > > > > posible?
> > > > > Mishelle
> > > > > > From: mark.j.abraham at gmail.com
> > > > > > Date: Sun, 15 Nov 2015 19:15:50 +0000
> > > > > > To: gmx-users at gromacs.org
> > > > > > Subject: Re: [gmx-users] Problems with trjconv
> > > > > >
> > > > > > Hi,
> > > > > >
> > > > > > Either you didn't issue the same command (inspect your terminal
> > > history),
> > > > > > or the second operation didn't complete (for any number of
> reasons).
> > > > > >
> > > > > > Mark
> > > > > >
> > > > > > On Sun, Nov 15, 2015 at 8:13 PM Mishelle Oña <
> samimishu at hotmail.com>
> > > > > wrote:
> > > > > >
> > > > > > > Hello, I have a question about trjconv. I have a .trr file and
> I
> > > put
> > > > > the
> > > > > > > following line of command: trjconv -f trajcentrada.trr -b 1646
> -e
> > > 1646
> > > > > -o
> > > > > > > 1646ps.gro I got back a file of 13813272703 bytes. Then I make
> the
> > > > > same and
> > > > > > > got a file of 506444 bytes. Do you know what is
> happening?Mishelle
> > > > > > > --
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