Dear all,
I used this script to restart my MD runs automatically and it worked well
in AMBER8. But now I am using AMBER11 and the script does not seem to work
anymore. Can anyone help to check if there is any problem with the script?
My script looks like this:
#!/bin/csh
> set AMBERHOME="/usr/local/amber11"
> set START=3
> set END=7
> set CURRENT=$START
> set INPUT=0
>
> echo -n "Starting script at:"
> date
> echo ""
>
> while ($CURRENT <= $END)
> echo -n "Job $CURRENT started at:"
> date
> . INPUT = $CURRENT - 1
> $AMBERHOME/exe/sander -O -i md_short.in -o md$CURRENT.out -p
> alasub_wat.prmtop -c md$INPUT.rst -r md$CURRENT.rst -x md$CURRENT.mdcrd
> gzip -9 -v md$CURRENT.mdcrd
> echo -n "Job $CURRENT finished at:"
> date
> .CURRENT = CURRENT + 1
> end
> echo "YES!! JOB DONE!!"
>
Please help. Thanks
-TOMMY-
--
Regards,
Tommy Yap
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Received on Mon Jun 18 2012 - 20:30:04 PDT
