AMBER Archive (2009)

Subject: Re: [AMBER] parameter for dihedral angle

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On Fri, Jun 05, 2009, Jorgen Simonsen wrote:
>
> I have included a metal ion and from literature it seems that the dihedral
> angle can disregarded so I set the in a frcmod-file
> DIHEDRAL
> CR-YA-CU-SM 3 0.75 0.0 3.
>
> but is this a correct way to set it to zero? Any hints or comments

No. You want the force constant (0.75 above) to be zero.

...dac

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• Previous message: Marek Maly: "Re: [AMBER] use of random seed in multiple runs"
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