Hi
I think you can try analysis in more than one step by using -b and -e
option of trjconv.

On Fri, Oct 14, 2016 at 5:59 PM, Mark Abraham <mark.j.abra...@gmail.com>
wrote:

> 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.
>
-- 
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.

Reply via email to