[gmx-users] Error from re-running the trajs

[Hongbin Wan]

Thanks a lot for helping.

--Hongbin

On Thu, Jul 28, 2016 at 3:40 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> That warning was intended for a different context, and will be removed in
> the 2016 release. It stems from some of the infrastructure not being robust
> enough to handle more than 2^31 steps, but that only affects the step
> number, so pretty much doesn't matter.
>
> Mark
>
> On Thu, Jul 28, 2016 at 8:21 PM Hongbin Wan <tuf74538 at temple.edu> wrote:
>
> > Hi all,
> >
> > I am  trying to re_run the trajectories to extract the potential
> energies,
> > and it turned out some of the trajectories had errors like the
> followings:
> >
> > WARNING: there may be something wrong with energy file r1.edr
> >
> > Found: step=-1349067296, nre=43, nblock=0, time=5.8918e+06.
> >
> > Trying to skip frame expect a crash though
> >
> > I thought it caused by the broken trajectories, and using gmx check says
> no
> > broken points in the trajectories. Please help me out.
> >
> >
> > Thanks.
> >
> > --Hongbin
> > --
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-- 
Hongbin Wan

*Department of Chemistry*

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Email: tuf74538 at temple.edu