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[ESPResSo-users] Espresso input/output with Python

From: Michael Winokur
Subject: [ESPResSo-users] Espresso input/output with Python
Date: Thu, 22 Dec 2016 16:46:25 -0600


I am starting to make sure I can use some basic functions and it seems that the best way at present to transfer data to VMD is by the hdf5 read/write functions.  I've been trying to get to work but this sample file generates an error message: 

Traceback (most recent call last):
  File "<stdin>", line 35, in <module>
  File "espressomd/h5md.pyx", line 247, in espressomd.h5md.write_to_h5.pos (/home/winokur/Espresso/espresso-master/build/src/python/espressomd/h5md.cpp:7376)
AttributeError: 'System' object has no attribute 'n_part'

My version of Espresso is from the "master" git download. 

Also, will the imd communication protocol be ported to Python?



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