AMBER Archive (2008)

Subject: AMBER: molecular structure

From: Chih-Ying Lin (chihying_at_usc.edu)
Date: Tue Aug 26 2008 - 17:24:29 CDT

Hi
the bond length, bond angle, dihedral angle determine the molecular structure

the bond length, bond angle are easily determined..
but the dihedral angle are hard to control...

I used antechamber to get the set of force field parameters.
But with that set of the force field parameter, I could not get the exact structure of the molecule (not all of the dihedral
angles are the same)

will it affect my rest of simulation severely?

Thanks
Lin

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