AMBER Archive (2002)

Subject: C sp2 connected to OS

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Dear Amber users,

I have a benzene ring with O ether attached. This O atom connects the benzene ring with another carbon chain. Can I parameterise it as C-OS? Because CA-OS is not parametrised yet in parm99. Is it really a carbonyl atom?

Thank you and best regards,
Bimo
ITB-Stuttgart

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