AMBER Archive (2005)

Subject: AMBER: atom type for -CH=CH-

From: Qizhi Cui (qzcui_at_scripps.edu)
Date: Thu Jun 09 2005 - 20:46:13 CDT

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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