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
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
>
>
--
-------------------------
Daniel R. Roe
Postdoctoral Associate
SAS - Chemistry & Chemical Biology
610 Taylor Road
Piscataway, NJ 08854
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Received on Thu May 06 2010 - 22:00:03 PDT
