Hi everybody,
I have Amber14, but when I use the command
cpinutil.py -p crys.solv10.parm7 -igb 2 -o crys.solv10.cpin -op
crys.solv10.modO.parm7 -resnames AS4 GL4 HIP
I get this error:
/usr/lib/python2.7/dist-packages/numpy/oldnumeric/__init__.py:11:
ModuleDeprecationWarning: The oldnumeric module will be dropped in Numpy 1.9
warnings.warn(_msg, ModuleDeprecationWarning)
Traceback (most recent call last):
File "/home/elisa/amber14/bin/cpinutil.py", line 289, in <module>
main(opt)
File "/home/elisa/amber14/bin/cpinutil.py", line 256, in main
changeradii(parm, 'mbondi2').execute()
NameError: global name 'changeradii' is not defined
and OC crys.solv10.modO.parm7 is not produced. What's happening?
Elisa
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Received on Tue Feb 23 2016 - 08:00:03 PST
