I tested them but this script did not work.This problem maybe appears due to the installing of ambertools without amber code.
Berk.
On Wednesday, May 6, 2015 6:17 PM, David A Case <case.biomaps.rutgers.edu> wrote:
On Wed, May 06, 2015, Ramin Ekhteiari wrote:
> I try to run MMPBSA.py script in AmberTools15 but I face with following error;
> ""raise ImportError('Could not import Amber Python
> modules. Please make sure you have sourced
> /RS/users/myurtsever/stbknm/amber12/amber15tools/amber14/amber.sh
> (if you are using sh/ksh/bash/zsh) or
> /RS/users/myurtsever/stbknm/amber12/amber15tools/amber14/amber.csh (if
> you are using csh/tcsh)""
Just so no one is wasting time here: please confirm that you have followed the
above instructions, i.e. that you typed:
"source /RS/users/myurtsever/stbknm/amber12/amber15tools/amber14/amber.sh"
in your shell, and then tried to run MMPBSA.py. Do you get the same error
message? If that doesn't help, please check your AMBERHOME and PATH
variables, and look at the output of typing:
"which MMPBSA.py"
...thanks...dac
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Received on Wed May 06 2015 - 11:30:02 PDT
