On Tue, Oct 21, 2014 at 5:54 PM, D.A. Ragland <debra.ragland.gmail.com>
wrote:
> Hello,
>
> I am trying to compose a simple submission script to run a batch job using
> ptraj on the school's LSF cluster, however I've run into a signal 11
> segmentations error that I don't know how to correct. Could anyone give
> this a quick looksee to see what may be missing or where I went wrong?
>
Since you didn't give us the input file, we don't know what you tried.
However, I recommend trying cpptraj instead of ptraj (and update to
AmberTools 14), since it takes almost the same input as ptraj (only a few
commands are different), and it has replaced ptraj as the actively
developed analysis program.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Tue Oct 21 2014 - 17:30:02 PDT
