Hi, Prevention is the best medicine - ask google about reducing GROMACS trajectory storage volume :-)
Mark On Fri, Oct 14, 2016 at 1:20 PM Nuno Azoia <naz...@gmail.com> wrote: > Have you tried the option -split? > I never tried, and I don't know if it will solve your problem, but give it > a try. > > > On Fri, Oct 14, 2016 at 11:34 AM, Rita Paiva Melo < > ritam...@ctn.tecnico.ulisboa.pt> wrote: > > > Hello, > > > > Thank you for your suggestions. I have already tried run trjconv but, as > > trajectory is heavy and server is full, out of memory error appears and > > analysis tool crash. > > > > Best, > > Rita. > > > > -----Original Message----- > > From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se [mailto: > > gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf Of Nuno > Azoia > > Sent: 14 de outubro de 2016 11:19 > > To: gmx-us...@gromacs.org > > Subject: Re: [gmx-users] trr file > > > > Hello Rita, > > > > I think the answer is trjconv. Try to convert it to xtc, reduce the > number > > of frames (with dt or skip), or reduce the components on the trajectory. > If > > you don't need solvent for the calculations you can create a trajectory > > without it. Removing the solvent and convert it to xtc should have a > great > > impact in file size. > > > > Nuno Azoia > > > > On Fri, Oct 14, 2016 at 11:04 AM, Rita Paiva Melo < > > ritam...@ctn.tecnico.ulisboa.pt> wrote: > > > > > Dear all, > > > > > > Probably a rookie question but anyone knows how to reduce trajectory > > > volume file to be analyzed (I have already tried trjconv)? I have a > > > trr file with 167 GB and analysis tools crash. > > > > > > Thanks, > > > Rita. > > > > > > -- > > > 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.