Amber is (only) a program to perform Molecular Mechanics Simulations.
The parameters necessary to do those simulations are independant
of the code although several sets are included as a courtsey (and should
be referenced separately from the program reference).
You are free to use any parameter set that is consistant with the
Hamiltonian implemented in the code (see the web page for details).
jim
On Tue, 18 Jun 2002, Craig A Bayse wrote:
> Hello,
>
> I'm considering purchasing a copy of AMBER, but I need to make sure it can
> do what I want it to do.
>
> Can I create my own parameters sets and implement them in AMBER?
>
> Thanks
>
> ++++++++++++++++++++++++++++++++++++++++
> Craig A. Bayse
> Assistant Professor
> Department of Chemistry and Biochemistry
> Old Dominion University
> Norfolk, VA 23529
> ph: 757 683 4097
> ----------------------------------------
>
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Department of Pharmaceutical Chemistry (fax) 415-502-1411
Mail Stop 0446 (email) caldwell_at_heimdal.ucsf.edu
513 Parnassus Avenue
University of California
San Francisco, CA 94143-0446
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Received on Tue Jun 18 2002 - 15:52:19 PDT
