Calculations using kappa

[Petlas]

I would like to draw your attention to an error that pops up when running calculations.
AttributeError: 'Amber' object has no attribute 'imptors'.

Please have a look into it and advice on how to over come the error.

[ajkerr0]

Thanks for raising the issue. Can you tell me the code you are running that raises this error?

[Petlas]

It is basically the Attachment tutorial, the part where we run the code "mols = kappa.Calculation(cnt)" .

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On 12 May 2017 at 14:44, Alex Kerr ***@***.***> wrote: Thanks for raising the issue. Can you tell me the code you are running that raises this error? — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub <#101 (comment)>, or mute the thread <https://github.com/notifications/unsubscribe-auth/AbUtKp1VFu8AXafQ-qvJMdzNGpf7vjmVks5r5HBlgaJpZM4NZOgA> .

[ajkerr0]

Try this temporary fix: Add a line under amber = kappa.Amber() that reads amber.imptors = False.

The error is that one part of the program expects an imptors attribute for forcefield objects but they are currently not implemented. I will look for a permanent solution in time.

[Petlas]

Thank you very much. You have been of great help. I would like to maintain close contact with you as I am new in the field and am yet to encounter quite a lot of obstacles. I could use your expertise. Thank you once again.

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On 12 May 2017 at 20:39, Alex Kerr ***@***.***> wrote: Try this temporary fix: Add a line under amber = kappa.Amber() that reads amber.imptors = False. The error is that one part of the program expects an imptors attribute for forcefield objects but they are currently not implemented. I will look for a permanent solution in time. — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub <#101 (comment)>, or mute the thread <https://github.com/notifications/unsubscribe-auth/AbUtKnYG6o969p6MO1HEUirDmbY3aP1tks5r5MOegaJpZM4NZOgA> .

[ajkerr0]

My latest change fixes this problem. Thanks again for bringing it to my attention! It was a huge oversight by me that the code wasn't left in running condition.