[gmx-users] cgenff_charmm2gmx.py failed
mailmd2011 at gmail.com
Mon May 26 16:33:00 CEST 2014
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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