I am getting following error while trying to change .str to .itp. Could you please help to solve this?
Traceback (most recent call last):
File “/Users/maheshkoirala/Desktop/GMX_Example/cgenff_charmm2gmx_py3_nx1.py”, line 973, in
if(float(nx.version) > 1.11):
ValueError: could not convert string to float: ‘2.7.1’
The way we test Python and NetworkX versions is a bit of a kludge, but you are using a NetworkX version that is incompatible with what the script requires. There is a NetworkX 2.x version of the script that you should use. If it still triggers an error when checking versions, just disable the version check.
Thank you!