[gmx-users] trr file

[Nuno Azoia]

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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