[gmx-users] charmm2gromacs-pvm.py error

Albert mailmd2011 at gmail.com
Fri Jul 5 18:37:02 CEST 2013


  I am trying to run charmm2gromacs-pvm.py with command:

charmm2gromacs-pvm.py par_all36_cgenff.prm top_all36_cgenff.rtf

but it failed with messages:

Creating cgenff-2b7.ff files...
Traceback (most recent call last):
   File "charmm2gromacs-pvm.py", line 283, in <module>
     name = segments[1]
IndexError: list index out of range

although it generate a cgenff-2b7 folder, but all the files it generate 
are empty.

thank you very much

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