[AMBER] Atom types for "alkene carbons", R.E.D.

From: Cecilia Lindgren <cecilia.lindgren.chem.umu.se>
Date: Thu, 28 Nov 2013 15:40:34 +0100

Dear AMBER Users,

I am trying to obtain parameters for an alkene amide bond isostere using the R.E.D. server. My problem is at the very end of the procedure when trying to choose correct atom types for the two alkene carbons.
I am using the force field amber99SB, and when checking the available atom types neither one of them seem correct. It is an sp2 carbon, but it is not aromatic, a member of a ring or a carbonyl ... Are there no atom types for these carbons?

Best regards,
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Received on Thu Nov 28 2013 - 07:00:02 PST
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