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Author Topic: regarding the output file .nc  (Read 3544 times)

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Offline surajmec

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regarding the output file .nc
« on: February 27, 2017, 10:32 »
sir
After i am done with my scripting and executing the file, there is no mdtrajectory.nc file showing on lab floor where it is supposed to be. I have tried both NVE and NVT ensemble.
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Offline Petr Khomyakov

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Re: regarding the output file .nc
« Reply #1 on: February 27, 2017, 22:11 »
Could you enclose the python script and log file related to your MD calculation?   
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Offline surajmec

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Re: regarding the output file .nc
« Reply #2 on: February 28, 2017, 11:55 »
sir, this the python script and in "nc" file there is no mdtrajectory.fig.png file.
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Offline Ulrik G. Vej-Hansen

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Re: regarding the output file .nc
« Reply #3 on: February 28, 2017, 13:02 »
Why should there? According to the script, it is a plot saved in a separate file, not as an object in the .nc file.
« Last Edit: February 28, 2017, 13:07 by Ulrik G. Vej-Hansen »
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