[gmx-users] Isovaline vs Valine

[Alex Simperler]

Dear Gromacs Users!
  I have Isovaline in my Protein. It is not supported in the aminoacids.dat file.  Can I simply call it VAL for the calculations or do I need to insert the data by hand. Is there any routine described online that tells me what I have to change?
  Regards
  Alex  

 		
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