AMBER Archive (2009)

Subject: Re: [AMBER] parameter for dihedral angle

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Sat Jun 06 2009 - 07:47:35 CDT

On Sat, Jun 06, 2009, raja pandian wrote:
>
> This is the correct way to represent the dihedral angle...
>
>
> DIHE
> CR-YA-CU-SM 2 4.80 180.0 2. METAL LIGAND IS
> ZERO

Maybe I am missing something(?), but I don't agree with this. I would
strongly suggest that you use "0.00" in place of "4.80" above, if you want
to zero-out the dihedral term.

...dac

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