[MMTK] charmm to netCDF

myang myang at clarku.edu
Fri Feb 20 19:28:21 CET 2004


Hi, Dear MMTK users,

I am trying to convert a Charmm trajectory file to netCDF format. I used the
example script file
http://starship.python.net/crew/hinsen/MMTK/Manual/Examples/Trajectories/dcd
_import.py.html, but with my own PDB file and trajectory file. In the last
second step (comman line "dcd_reader()"), phython give me the following
error message.

Traceback (most recent call last):
  File "C:/Python22/import.py", line 25, in ?
    dcd_reader()
  File "C:\Python22\lib\site-packages\MMTK\DCD.py", line 63, in __call__
    self.getActions(), self.getOption('dcd_file'))
MemoryError

Can anybody tell me why? I use MMTK with python2.2 under windows xp OS.
Thanks for help!

Best&Regards
Ming




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