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Tutorial-l Mailing List

From: Faisal, H M Nasrullah (hmnasrullah.faisal_at_ndsu.edu)
Date: Thu Aug 20 2020 - 09:10:01 CDT

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Hi all,

I am trying to follow MDFF tutorial. However, the very first command of generating .dx file is not working. Whenever I type the command
mdff sim $sel -res 5 -o 4ake-target_autopsf.dx

I have got an error message in Tkconsole

Warning: guessing atomic number for atoms with unknown element...

and after that nothing happened. No .dx file was generated.

I can't understand the source of problem as I am working with the tutorial provided files. Is this MDFF tutorial workable or not?

Thanks
Faisal

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• Next message: Ramon Mendoza Uriarte: "One-dimensional replica-exchange umbrella sampling tutorial help"
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