AMBER Archive (2000)

Subject: Amber paramters

From: Christopher Higgs (chiggs_at_icr.ac.uk)
Date: Wed Jan 26 2000 - 06:40:53 CST


Hi,

I have a ligand which contains a benzene ring with 3 flourines replacing
three of the hydrogens on the ring.
Has any one got any paramters for this? What should i set the atom type of
the carbon too?
Also i have an ester linkage between the benzene ring and a carbon chain.
I have set this oxygen atom type to OS but there are no paramters for
CA-CA-OS.

Can anyone help?

Thanks

Chris Higgs

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Christopher Higgs
The Institute of Cancer Research
237 Fulham Road, London
SW3 6JB, United Kingdom

tel: 0207 352 8133 ext 5102
      0207 970 6055 (direct line)
fax: 0207 352 8039
email: chiggs_at_icr.ac.uk
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