I am trying to run NAST, the following is the error message I got from the test.
python2.6 nast.py
Traceback (most recent call last):
File "nast.py", line 20, in <module>
import simtk.nast.molecule as molecule
File "/usr/lib/python2.6/site-packages/simtk/nast/molecule.py", line 20, in <module>
import simtk.chem.openmm as mm
ImportError: No module named chem.openmm.
So I copied the pre-compiled PyOpenMM3.0 to the user directory.
sudo cp -r OpenMM3.0-Linux32 /usr/lib/python2.6/site-packages/simtk/chem/openmm
I got the same error. How should I build PyOpenMM on redhat and link with NAST.
ImportError: No module named chem.openmm
- Juan Antonio Raygoza Garay
- Posts: 5
- Joined: Wed Aug 10, 2011 12:51 pm
Re: ImportError: No module named chem.openmm
Just for reference:
Basically the line :
import simtk.chem.openmm as mm
should read
import simtk.openmm.openmm as mm
in simtk/nast/molecule.py
Basically the line :
import simtk.chem.openmm as mm
should read
import simtk.openmm.openmm as mm
in simtk/nast/molecule.py