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
Received on Wed Apr 20 2016 - 01:00:03 PDT
