You can't recover or use corrupted frames. If too many frames are
corrupted, you'll have to re-run the simulation.
All the best,
Jason
2010/5/7 Yunfen Wang <wangfen041237.163.com>
> But most of the following frames are also like this corrupted frame. As you
> say , I cann't analyze the frames , I will lose much information which i
> don't want to see. Besides, for the minority of right frames following ,
> What I can do ?
>
>
>
>
>
>
>
> 在2010-05-07 12:46:46，"Daniel Roe" <daniel.r.roe.gmail.com> 写道：
> >It is possible your trajectory is corrupted at that frame. If this is the
> >case then you can get ptraj to finish without crashing by ending the
> >trajectory read before the corrupted frame, i.e.
> >
> >trajin TRAJECTORY.crd 1 X
> >
> >where X is the last good frame (the frame before the vlimit one).
> >
> >-Dan
> >
> >On Thu, May 6, 2010 at 8:57 PM, Yunfen Wang <wangfen041237.163.com>
> wrote:
> >
> >> Hi all,
> >> Thank you for ever help.
> >> But now I have met another problem. During running ptraj, it crashed ,
> with
> >> reminding that:
> >> Warning in readAmberTrajectory : fsetpos failed on
> when
> >> looking for box coordinates.
> >> And I checked the output file. I found "vilimit exceeded for step
> ******,
> >> vmax = 22.3114 " on the crashed step .
> >> Is there some ways to resolve the problem? Expecting your help.
> >> Thanks a lot.
> >> wang
> >> _______________________________________________
> >> AMBER mailing list
> >> AMBER.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber
> >>
> >>
> >
> >
> >--
> >-------------------------
> >Daniel R. Roe
> >Postdoctoral Associate
> >SAS - Chemistry & Chemical Biology
> >610 Taylor Road
> >Piscataway, NJ 08854
> >_______________________________________________
> >AMBER mailing list
> >AMBER.ambermd.org
> >http://lists.ambermd.org/mailman/listinfo/amber
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri May 07 2010 - 06:00:15 PDT
