Re: Dihedral parameter missing

From: Josh Vermaas (vermaas2_at_illinois.edu)
Date: Mon Apr 04 2016 - 16:30:27 CDT

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Hi Farideh,

CGenFF usually omits parameters that are already present in the general
force field from the stream file. Are you including this as well during
simulation?

-Josh

On 04/04/2016 04:26 PM, faride badalkhani wrote:
> Dear all,
>
> I used the CGen FF program to get parameters for a system that
> includes an alkyne group but there is no parameter for dihedral angle
> CGT2 CGT1 CT2 OS in the .str output file . How can I find
> parameter for this dihedral angle?
>
> Regards,
> Farideh

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