You need to resolve $AMBERHOME in some way other than "" which is what
you are getting, e.g. by setting it in the shell environment so that
python can pick it up, and ensuring python picks it up with whatever
magic python uses. Or hard-code it :-)
Bill
On 4/20/16 12:37 AM, Ayesha Kanwal wrote:
> Hi all,
> i want to embed amber tool MMPBSA.py in my own tool.
> for that i paste the following commands in the python script and put this script in amber14 folder. so i can visualize either this approach would work or not
> But i found an error of sh: 1: /bin/MMPBSA.py not found
> am i going to the wrong direction ? if so please guide me.
>
> import os
> var=os.system("$AMBERHOME/bin/MMPBSA.py -O -i mmpbsa.in -o FINAL_RESULTS_MMPBSA.dat -sp ras-raf_solvated.prmtop -cp ras-raf.prmtop -rp ras.prmtop -lp raf.prmtop -y prod.mdcrd -eo results.csv")
> print var
>
>
> _______________________________________________
> 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 Apr 20 2016 - 01:30:03 PDT
