I would like to extract velocity from trajectory files.
I have used ntwv = -1 and ioutfm = 1 in the input parameter file.
According to AMBER mailing list (
http://archive.ambermd.org/201011/0255.html), I installed python-scientific in Ubuntu-11.10
and tried to execute the script. But It failed to run.
The output is as below:
[vijay.glycogpu extract-vel]$ python extractvel.py
Traceback (most recent call last):
File "extractvel.py", line 1, in <module>
from Scientific.IO.NetCDF import NetCDFFile as Dataset
ImportError: No module named Scientific.IO.NetCDF
[vijay.glycogpu extract-vel]$
Is there anything additional things need to be done?
Please advice.
Thanks
Vijay Manickam Achari
(Phd Student c/o Prof Rauzah Hashim)
Chemistry Department,
University of Malaya,
Malaysia
vjramana.gmail.com
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Received on Thu Dec 13 2012 - 01:30:02 PST
