[gmx-users] cgenff_charmm2gmx.py failed

Albert mailmd2011 at gmail.com
Mon May 26 16:33:00 CEST 2014

Dear JUstin:

thank you for kind comments.

I updated the nextworkx into 1.8.1 and the problem solved now. I 
obtained ligand.itp file.

thanks again for helps.


On 05/26/2014 04:19 PM, Justin Lemkul wrote:
> It works fine for me.  I am using the same Python version you are, so 
> that's not an issue.  The error message comes from add_node(), which 
> is part of the NetworkX package; perhaps your version is 
> incompatible.  I am using version 1.8.1.  If the NetworkX version is 
> an issue, we would very much like to know so we can enhance our 
> documentation regarding prerequisites. 

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