Difference between revisions of "Talk:Structure-based mutation analysis (PKU)"

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This is just a place to add criticism and or positive feedback so we [[User:Boidolj|Jonathan]] and [[User:Hollizeck|Sebastian]] have a possibility to improve. Please note, that we wont be able to adress all matters immediately but we will address them eventually!
Just noticed that you used charmm27. When you use this force field the output from g energy misses angles. Also the number of the potential attribute is shifted 1 is Bond, 2 is "U-B" and 12 is "dont know right now". The potential is number 13. Im not sure what exactly U-B is but i think angle would be given when choosing the attributes[[User:Joerdensv|Joerdensv]]
 
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[[File:Example.jpg|400px|thumb|topright|alt=schematic group of people coloured in several colours with speech bubbles above their head| source: [http://www.rmcdocs.com/images/DiscussionForum.jpg]]]
   
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==criticism==
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<!-- Please edit here is you got urgent matters -->
   
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==positive feedback==
Ahead of you: Fixed the potential energy, still trying to figure out the "angle" option. Thx anyway!
 
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<!-- tell us what you like here -->
[[User:Boidolj|Boidolj]] 14:14, 24 June 2012 (UTC)
 
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==suggestions==
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<!-- when you think there is something you should read here is the place and time -->
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== urgent matters ==
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Just noticed that you used charmm27. When you use this force field the output from g energy misses angles. Also the number of the potential attribute is shifted 1 is Bond, 2 is "U-B" and 12 is "dont know right now". The potential is number 13. Im not sure what exactly U-B is but i think angle would be given when choosing the attributes [[User:Joerdensv|Joerdensv]]
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*Ahead of you: Fixed the potential energy, still trying to figure out the "angle" option. Thx anyway! [[User:Boidolj|Boidolj]] 14:14, 24 June 2012 (UTC)

Revision as of 21:15, 24 June 2012

This is just a place to add criticism and or positive feedback so we Jonathan and Sebastian have a possibility to improve. Please note, that we wont be able to adress all matters immediately but we will address them eventually!

schematic group of people coloured in several colours with speech bubbles above their head
source: [1]

criticism

positive feedback

suggestions

urgent matters

Just noticed that you used charmm27. When you use this force field the output from g energy misses angles. Also the number of the potential attribute is shifted 1 is Bond, 2 is "U-B" and 12 is "dont know right now". The potential is number 13. Im not sure what exactly U-B is but i think angle would be given when choosing the attributes Joerdensv

  • Ahead of you: Fixed the potential energy, still trying to figure out the "angle" option. Thx anyway! Boidolj 14:14, 24 June 2012 (UTC)