Dear Amber users
I am trying to reproduce the tutorial on the page
https://ambermd.org/tutorials/advanced/tutorial3/py_script/section2.htm
But when I run the command
$ AMBERHOME / bin / MMPBSA.py -O -i mmpbsa.in -o FINAL_RESULTS_MMPBSA.dat
-sp 1err.solvated.prmtop -cp complex.prmtop -rp receptor.prmtop -lp
ligand.prmtop -y * .mdcrd
I have the following error.
Traceback (most recent call last):
File "/usr/local/chem/amber18/bin/MMPBSA.py", line 48, in <module>
(amberhome, amberhome))
ImportError: Could not import Amber Python modules. Please make sure you
have sourced /usr/local/chem/amber18/amber.sh (if you are using sh / ksh /
bash / zsh) or /usr/local/chem/amber18/amber.csh (if you are using csh /
tcsh)
I will be very grateful if anyone can help me.
Use the AMBER18
Att.,
Dr Renato Costa
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Apr 09 2020 - 10:30:01 PDT
