Re: [gmx-users] Problems with trjconv

2018-02-16 Thread Justin Lemkul



On 2/16/18 3:00 PM, Poncho Arvayo Zatarain wrote:

Where shud i see the answer Justin? Please tell me



Like any other post, in your email.

-Justin



De: gromacs.org_gmx-users-boun...@maillist.sys.kth.se 
<gromacs.org_gmx-users-boun...@maillist.sys.kth.se> en nombre de Justin Lemkul 
<jalem...@vt.edu>
Enviado: viernes, 16 de febrero de 2018 11:50 a. m.
Para: gmx-us...@gromacs.org
Asunto: Re: [gmx-users] Problems with trjconv



On 2/16/18 2:35 PM, Poncho Arvayo Zatarain wrote:

Hello Gomacs users: I have a problem with a lipid bilayer. The bilayers is 
inverted, the water is in the middle and the lipid tails are outside. How can i 
flip it to a correct way? I´m trying with gmx trjconv -f file.gro -s file.tpr 
-n index -o file.gro -pbc whole but nothing happens. In index i use option 
System. What can i do to flip the bilayer? should i use lipid and water options 
in index?

I answered this earlier this morning. Please try what I suggested.

-Justin

--
==

Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalem...@vt.edu | (540) 231-3129
http://www.biochem.vt.edu/people/faculty/JustinLemkul.html
Justin Lemkul<http://www.biochem.vt.edu/people/faculty/JustinLemkul.html>
www.biochem.vt.edu




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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalem...@vt.edu | (540) 231-3129
http://www.biochem.vt.edu/people/faculty/JustinLemkul.html

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Re: [gmx-users] Problems with trjconv

2018-02-16 Thread Justin Lemkul



On 2/16/18 2:35 PM, Poncho Arvayo Zatarain wrote:


Hello Gomacs users: I have a problem with a lipid bilayer. The bilayers is 
inverted, the water is in the middle and the lipid tails are outside. How can i 
flip it to a correct way? I´m trying with gmx trjconv -f file.gro -s file.tpr 
-n index -o file.gro -pbc whole but nothing happens. In index i use option 
System. What can i do to flip the bilayer? should i use lipid and water options 
in index?


I answered this earlier this morning. Please try what I suggested.

-Justin

--
==

Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalem...@vt.edu | (540) 231-3129
http://www.biochem.vt.edu/people/faculty/JustinLemkul.html

==

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[gmx-users] Problems with trjconv

2018-02-16 Thread Poncho Arvayo Zatarain


Hello Gomacs users: I have a problem with a lipid bilayer. The bilayers is 
inverted, the water is in the middle and the lipid tails are outside. How can i 
flip it to a correct way? I´m trying with gmx trjconv -f file.gro -s file.tpr 
-n index -o file.gro -pbc whole but nothing happens. In index i use option 
System. What can i do to flip the bilayer? should i use lipid and water options 
in index?
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Re: [gmx-users] Problems with trjconv

2015-11-15 Thread Mark Abraham
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 <samimi...@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.abra...@gmail.com
> > Date: Sun, 15 Nov 2015 19:15:50 +
> > To: gmx-us...@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 <samimi...@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
> > > --
> > > Gromacs Users mailing list
> > >
> > > * Please search the archive at
> > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > > posting!
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[gmx-users] Problems with trjconv

2015-11-15 Thread Mishelle Oña
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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Re: [gmx-users] Problems with trjconv

2015-11-15 Thread Mishelle Oña
Eh, I don´t understand what you mean, please  explain me .Mishelle:)

> From: mark.j.abra...@gmail.com
> Date: Sun, 15 Nov 2015 19:28:47 +
> To: gmx-us...@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 <samimi...@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.abra...@gmail.com
> > > Date: Sun, 15 Nov 2015 19:15:50 +
> > > To: gmx-us...@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 <samimi...@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
> > > > --
> > > > Gromacs Users mailing list
> > > >
> > > > * Please search the archive at
> > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > > > posting!
> > > >
> > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > > >
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> > > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > > > send a mail to gmx-users-requ...@gromacs.org.
> > > >
> > > --
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> > posting!
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Re: [gmx-users] Problems with trjconv

2015-11-15 Thread Mishelle Oña
Ok, but this erase the frame from my trajectory? because i don´t want to modify 
it.

> Date: Mon, 16 Nov 2015 00:10:07 +0100
> From: shantanu...@gmail.com
> To: gmx-us...@gromacs.org
> Subject: Re: [gmx-users] Problems with trjconv
> 
> 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 <samimi...@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.abra...@gmail.com
> > > Date: Sun, 15 Nov 2015 22:06:38 +
> > > To: gmx-us...@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 <samimi...@hotmail.com> wrote:
> > >
> > > > Eh, I don´t understand what you mean, please  explain me .Mishelle:)
> > > >
> > > > > From: mark.j.abra...@gmail.com
> > > > > Date: Sun, 15 Nov 2015 19:28:47 +
> > > > > To: gmx-us...@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 <samimi...@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.abra...@gmail.com
> > > > > > > Date: Sun, 15 Nov 2015 19:15:50 +
> > > > > > > To: gmx-us...@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 <
> > samimi...@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
> > > > > > > > --
> > > > > > > > Gromacs Users mailing list
> > > > > > > >
> > > > > > > > * Please search the archive at
> > > > > > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List
> > before
> > > > > > > > posting!
> > > > > > > >
> > > > > > > > * Can't post? Read
> > http://www.gromacs.org/Support/Mailing_Lists
> > > > > > > >
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> > > > > > > >
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users
> > > > 

Re: [gmx-users] Problems with trjconv

2015-11-15 Thread Mishelle Oña
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.abra...@gmail.com
> Date: Sun, 15 Nov 2015 22:06:38 +
> To: gmx-us...@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 <samimi...@hotmail.com> wrote:
> 
> > Eh, I don´t understand what you mean, please  explain me .Mishelle:)
> >
> > > From: mark.j.abra...@gmail.com
> > > Date: Sun, 15 Nov 2015 19:28:47 +0000
> > > To: gmx-us...@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 <samimi...@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.abra...@gmail.com
> > > > > Date: Sun, 15 Nov 2015 19:15:50 +
> > > > > To: gmx-us...@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 <samimi...@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
> > > > > > --
> > > > > > Gromacs Users mailing list
> > > > > >
> > > > > > * Please search the archive at
> > > > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > > > > > posting!
> > > > > >
> > > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > > > > >
> > > > > > * For (un)subscribe requests visit
> > > > > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users
> > or
> > > > > > send a mail to gmx-users-requ...@gromacs.org.
> > > > > >
> > > > > --
> > > > > Gromacs Users mailing list
> > > > >
> > > > > * Please search the archive at
> > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > > > posting!
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> > or
> > > > send a mail to gmx-users-requ...@gromacs.org.
> > > >
> > > > --
> > > > Gromacs Users mailing list
> > > >
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> > > > send a mail to gmx-users-requ...@gromacs.org.
> > > >
> > > -

Re: [gmx-users] Problems with trjconv

2015-11-15 Thread Shantanu Maheshwari
No it will not erase anything from .trr file.

On Mon, Nov 16, 2015 at 12:21 AM, Mishelle Oña <samimi...@hotmail.com>
wrote:

> Ok, but this erase the frame from my trajectory? because i don´t want to
> modify it.
>
> > Date: Mon, 16 Nov 2015 00:10:07 +0100
> > From: shantanu...@gmail.com
> > To: gmx-us...@gromacs.org
> > Subject: Re: [gmx-users] Problems with trjconv
> >
> > 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 <samimi...@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.abra...@gmail.com
> > > > Date: Sun, 15 Nov 2015 22:06:38 +
> > > > To: gmx-us...@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 <samimi...@hotmail.com>
> wrote:
> > > >
> > > > > Eh, I don´t understand what you mean, please  explain me
> .Mishelle:)
> > > > >
> > > > > > From: mark.j.abra...@gmail.com
> > > > > > Date: Sun, 15 Nov 2015 19:28:47 +
> > > > > > To: gmx-us...@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 <
> samimi...@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.abra...@gmail.com
> > > > > > > > Date: Sun, 15 Nov 2015 19:15:50 +
> > > > > > > > To: gmx-us...@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 <
> > > samimi...@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
> > > > > > > > > --
> > > > > > > > > Gromacs Users mailing list
> > > > > > > >

Re: [gmx-users] Problems with trjconv

2015-11-15 Thread Mark Abraham
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 <samimi...@hotmail.com> wrote:

> Eh, I don´t understand what you mean, please  explain me .Mishelle:)
>
> > From: mark.j.abra...@gmail.com
> > Date: Sun, 15 Nov 2015 19:28:47 +
> > To: gmx-us...@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 <samimi...@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.abra...@gmail.com
> > > > Date: Sun, 15 Nov 2015 19:15:50 +
> > > > To: gmx-us...@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 <samimi...@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
> > > > > --
> > > > > Gromacs Users mailing list
> > > > >
> > > > > * Please search the archive at
> > > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > > > > posting!
> > > > >
> > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > > > >
> > > > > * For (un)subscribe requests visit
> > > > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users
> or
> > > > > send a mail to gmx-users-requ...@gromacs.org.
> > > > >
> > > > --
> > > > Gromacs Users mailing list
> > > >
> > > > * Please search the archive at
> > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > > posting!
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> or
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> > >
> > > --
> > > Gromacs Users mailing list
> > >
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> > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
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> > --
> > Gromacs Users mailing list
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Re: [gmx-users] Problems with trjconv

2015-11-15 Thread Mark Abraham
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  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
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-requ...@gromacs.org.
>
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Re: [gmx-users] Problems with trjconv

2015-11-15 Thread Mishelle Oña
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.abra...@gmail.com
> Date: Sun, 15 Nov 2015 19:15:50 +
> To: gmx-us...@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 <samimi...@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
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> > * For (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-requ...@gromacs.org.
> >
> -- 
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> 
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