xyz2nx fortran error

[Hyoung Chul]

Dear NETWONX users/developers,

I have downloaded and installed the program newtonx-2.2 but when I run the program "xyz2nx" I get this error:

At line 34 of file xyz2nx.f90 (unit = 5, file = 'stdin')
Fortran runtime error: End of file

If someone can help me I will be very grateful.

Thank you very much, best regards.

Hyounh Chul.

[Saikat Mukherjee]

Hello Hyounh Chul, 

Please share your input file so that we can reproduce the error you had. Normally the script works fine.

Ideally, you should have the XYZ file (e.g.  "geom.xyz") in your directory. After the following command, you will get a file called "geom", where the geometry is presented in NX format. 

$NX/xyz2nx <geom.xyz

Cheers, 

Saikat 

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Dr. SAIKAT MUKHERJEE

Post-Doctoral Research Scholar 

Prof. Mario Barbatti Group 

Institut de Chimie Radicalaire, 

Aix-Marseille University, 

13013 Marseille, France

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