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 +0000 > 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 +0000 > > > > > 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...@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.
