Re: [AMBER] BSUB on LSF cluster

From: Jason Swails <>
Date: Tue, 21 Oct 2014 20:10:02 -0400

On Tue, Oct 21, 2014 at 5:54 PM, D.A. Ragland <>

> 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.


Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Tue Oct 21 2014 - 17:30:02 PDT
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