how to minimize molecular structure energy by AM1 forcefield

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how to minimize molecular structure energy by AM1 forcefield

Yalda
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hi, i have 485 target from binding database by 3d sdf format. best forcefield to get minimum energy is AM1 in semi empirical method . are there AM1 in the forcefield of openbabel? target format is hin, when i computed energy by hyperchem software in molecular mechanic force filed ,i received very low value energy rather than openbabel calculation. why it happens? please help me
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Re: how to minimize molecular structure energy by AM1 forcefield

Noel O'Boyle
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No - we do not have AM1, nor any semi-empirical method.

On 24 May 2017 at 13:09, Yalda <[hidden email]> wrote:

> goodafternoon i have 485 target from binding database by 3d sdf format best
> forcefield to get minimum energy is AM1 in semi empirical method are there
> AM1 in the forcefield of openbabel? thanks
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