Subject: Re: Dihedral Angle Driver and HyperChem

From: "[email-masked]" <Tamas [email-masked]>
Date: Thu, 10 Apr 1997 11:59:47 +1

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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