[gmx-users] Function of dihedrals in top file

[Justin Lemkul]

On Tue, Mar 19, 2013 at 2:16 PM, Shima Arasteh
<shima_arasteh2001 at yahoo.com>wrote:

>
>
>  Dears,
>
> There is term of function for each 4 atoms in dihedral section in top
> file. How this function is defined? To add extra dihedrals manually, I need
> to add function too.
>
>
All of this information is in the manual, Chapters 4 (definition of
functional forms) and 5 (implementation in the topology). Force
field-specific concerns should be addressed in the literature.

-Justin

-- 

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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540)
231-9080http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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