[gmx-users] problem with charmm2gromacs-pvm.py

Albert mailmd2011 at gmail.com
Mon Jun 24 11:49:30 CEST 2013


  I am trying to use charmm2gromacs-pvm.py to generate cgenff with comman:

python charmm2gromacs-pvm.py toppar/par_all36_cgenff.prm 

but it always 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

thank you very much

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