Hello,
You need to see the the original articles on the development of ff94 and
ff02 which is listed in amber manual. You may like to see the ff03 as well.
Here again the partail charges will be different from the above two as all
of them have the different approach in deriving the RESP charges.
Best wishes,
Jiten
----- Original Message -----
From: "Vlad Cojocaru" <Vlad.Cojocaru.mpi-bpc.mpg.de>
To: "amber list" <amber.scripps.edu>
Sent: Thursday, September 23, 2004 12:15 AM
Subject: AMBER: all_nucleic94 versus all_nucleic02
> Dear Amber users,
> Could somebody explain to me what is the difference between the
> all_nucleic94.lib and all_nucleic02.lib file in the amber library. I
> noticed that the charges on the residues differ.
> Thank you very much
> vlad
>
> --
> Vlad Cojocaru Max Planck Institute for Biophysical Chemistry Department:
> 060 Am Fassberg 11, 37077 Goettingen, Germany tel: ++49-551-201.1327
> e-mail: Vlad.Cojocaru.mpi-bpc.mpg.de
> home tel: ++49-551-9963204
>
>
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Received on Wed Sep 22 2004 - 16:53:01 PDT
