Re: [gmx-users] Problems with trjconv
No it will not erase anything from .trr file. On Mon, Nov 16, 2015 at 12:21 AM, Mishelle Oña 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 > > 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 > 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! > > > > > > > > > > > > > > > > * 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! > > > > > > > > > > > > > > * 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 > >
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 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 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 > > > 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! > > > > > > > > > > > > * 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! > > > > > > > > > > * 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! > > > > > > > > * 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! > > > > > > * 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...@