Dear All,
I want to perform MD simulations for a Butyl anine in liquid phase. But there are some missing united atom torsion parameters that I couldn’t find. These parameters listed below :
C2- C2- C2- N ( anine nitrogen)
C2- C2- N ( anine nitrogen) – H ( anine hydrogen)
Could you help me to know these parameters or / and suggest a referance study that includes these missing torsion parameters ?
Thanks in advance for your help !
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Received on Wed Jul 02 2008 - 06:07:28 PDT