Hi,
I am dealing with a molecule which has hydrogen attached double bonded
carbon, -CH=CH-. I wonder what atom type should be for C and H.
According to the ff94, CM is for any sp2 carbon, double bonded, so the C
may have CM type. But there is no information for the H. (I also checked
gaff.dat.)
Thanks for any suggestions!
Qizhi
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Received on Fri Jun 10 2005 - 03:53:00 PDT
