Subject: tri-fluor-ethanol (TFE) solvent force field parameters and coordinates

From: Marc BAADEN <[email-masked]>
Date: Tue, 05 Jun 2001 17:33:51 +0100

Dear All,

below I forward a message from a colleague. You can either reply directly
to him (mailto:[email-masked]), or I will forward
any responses.

Thank you very much in advance,

  Marc Baaden

Jose D Faraldo-Gomez said:

>> Hi

>> I'm looking for parameters for tri-fluor-ethanol (TFE) for a force
>> field simulation of a TFE-water mixture; what I need is Lennard Jones
>> 12-6 parameters for water-TFE and TFE-TFE, as well as partial charges
>> and equilibrium distances and angles for TFE. Can anyone help?

>> Thanks,

>> Jose 

-- 
 Dr. Marc Baaden - Laboratory of Molecular Biophysics, Oxford University
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