ImportError: No module named chem.openmm

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User avatar
Peiwu Qin
Posts: 2
Joined: Tue May 17, 2011 11:01 am

ImportError: No module named chem.openmm

Post by Peiwu Qin » Tue May 17, 2011 1:49 pm

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.






User avatar
Juan Antonio Raygoza Garay
Posts: 5
Joined: Wed Aug 10, 2011 12:51 pm

Re: ImportError: No module named chem.openmm

Post by Juan Antonio Raygoza Garay » Thu Oct 27, 2011 1:35 am

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

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