Talk:Structure-based mutation analysis (PKU)

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Revision as of 14:22, 24 June 2012 by Joerdensv (talk | contribs)

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 attributesJoerdensv