[AMBER] Fwd: cpinutil.py problem

From: Elisa Pieri <elisa.pieri90.gmail.com>
Date: Tue, 23 Feb 2016 16:39:38 +0100

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
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