From tamasgunda@tigris.klte.hu  Thu Apr 10 06:35:15 1997
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From: "tamasgunda@tigris.klte.hu" <Tamas Gunda@www.ccl.net>
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Date: Thu, 10 Apr 1997 11:59:47 +1
Subject: Re: Dihedral Angle Driver and HyperChem
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Patrick Kano wrote:
 
>  I read that the MM2 force field contains a DIHEDRAL ANGLE DRIVER, which
> allows the user to scan part of the potential surface in search of local
> minima.
> 
>  Can anyone tell me if the MM+ force field which is available in HyperChem
> (and which is a variation of the MM2 force field) contains this facility? If
> so, how does it compare to other conformational search methods such as
> simulated annealing. 


Not the forcefields itself contain the dihedral driver, but the
program & interface, in which the MM procedure has been implanted and realized.

In HyperChem there is no dihedral driver, but you can yourself 
"program" it by creating a script file. Consult the manual of HyperChem.
It seems to be difficult only the first time. 


best wishes

Tamas Gunda


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   Dr Tamas E. Gunda                   phone: (+36-52) 316666 ext 2479
   Research Group of Antibiotics       fax  : (+36-52) 310936
   L. Kossuth University               e-mail: tamasgunda@tigris.klte.hu
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