Hi Robert,
This is real easy to do. The key is that ptraj can read commands streamed
from standard input. So just put the commands you want into a text file (say
my_job.in). E.g.
trajin foo.mdcrd.1
trajin foo.mdcrd.2
trajout bar.mdcrd
...
Then run ptraj with:
$AMBERHOME/exe/ptraj < my_job.in >& my_job.out &
This will background the job and write all the output to the file
my_job.out.
If you want it to run even after you close the terminal then you just have
to prefix it with nohup. E.g.
nohup $AMBERHOME/exe/ptraj < my_job.in >& my_job.out &
All the best
Ross
> -----Original Message-----
> From: amber-bounces.ambermd.org [mailto:amber-bounces.ambermd.org] On
> Behalf Of Hopkins, Robert
> Sent: Saturday, May 16, 2009 5:48 PM
> To: AMBER.ambermd.org
> Subject: [AMBER] Running PTRAJ command line scripts in background
>
> Amber Users,
>
>
>
> Hopefully, this is a simple question with a straightforward answer: Is
> there a way to run a Ptraj command line script (e.g., like the one on
> p.
> 82 of the AmberTools User Manual) in the background? I haven't found
> anywhere in the command that I can place an ampersand (&) and have it
> function properly (even if preceded by \ or placed in single or double
> quotes). If this can be done, I'd really appreciate knowing how.
>
>
>
> Thanks,
>
> Bob Hopkins
>
> _______________________________________________
> 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
Received on Wed May 20 2009 - 17:15:50 PDT
