Subject: Energy minimization

From: amor san juan <[email-masked]>
Date: Sun, 21 Jul 2002 04:08:39 -0700 (PDT)

Hello,

What are the good minimization algorithms for  up to
150max atoms? My goal to this most stable energy
conformer is to use it in docking experiment.

I tried MM3 & MMFF94 algorithms built in a specific
commercial software. Results showed that none of the
minimized structures in synchronized with ben.pdbq
distributed file in AutoDock.

Im calling the attention of Autodock users, have you
encountered this problem? Kindly give me a hint. I
would also appreciate if someone would be considerate
to give me good reading materials about energy
minimization.

Thanks,
Amor 

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