Hi Jason. Thanks for the reply. It worked fine until it started working on
the trajectory. Here is the screen output:
Re-ordering the trajectories. This may take awhile...
Traceback (most recent call last):
File "./fix_traj_parm.py", line 70, in <module>
newtraj = open_netcdf(opt.outtraj, 'w')
File "/home/fabricio/amber12/bin/chemistry/amber/readparm.py", line 45,
in <lambda>
open_netcdf = lambda name, mode: NetCDFFile(name, mode)
File "/usr/lib/python2.7/dist-packages/Scientific/IO/NetCDF.py", line
171, in NetCDFFile
filename = os.path.expanduser(filename)
File "/usr/lib/python2.7/posixpath.py", line 252, in expanduser
if not path.startswith('~'):
AttributeError: 'NoneType' object has no attribute 'startswith'
Looked it up on the web to see if there was something I could do, but found
lots of generic forums discussing things that I didn't really understand.
Am I missing something here?
Thanks
2013/7/11 Jason Swails <jason.swails.gmail.com>
> On Thu, Jul 11, 2013 at 12:43 PM, Fabrício Bracht <fabracht1.gmail.com
> >wrote:
>
> > Hi Jason. Sorry to bother you so soon, but, just so that I can program
> > myself, you said that an update would be available shortly. Any idea when
> > that shortly is going to be? Again, sorry to bother you with this.
> >
>
> So the update is ready, and the website should now be synchronized. If you
> reconfigure and reinstall AmberTools13, it should request permission to
> update your code.
>
> Let me know if you have any problems,
> Jason
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Thu Jul 11 2013 - 11:00:03 PDT
