[gmx-users] trr file

[Mark Abraham]

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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