[gmx-users] trr file

[tasneem kausar]

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.abraham at 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 <nazoia at 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 <
> > ritamelo at 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-bounces at maillist.sys.kth.se [mailto:
> > > gromacs.org_gmx-users-bounces at maillist.sys.kth.se] On Behalf Of Nuno
> > Azoia
> > > Sent: 14 de outubro de 2016 11:19
> > > To: gmx-users at 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 <
> > > ritamelo at 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.
> > > >
> > > > --
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