[gmx-users] Re: dihedraltypes funct 4 and 9 in gmx 4.5 amber

[Alan]

Ah! now I get it. Thanks Berk.

On 20 August 2010 16:27, <gmx-users-request at gromacs.org> wrote:

> Hi,
>
> That depends.
> If you have explicit parameters in the dihedral section then 1 and 9 are
> equivalent.
> If grompp has to look up parameters in the dihderaltypes section there will
> be difference
> when multiple parameter lines are present the same atom types for a
> dihedral type 9.
>
> Berk
>

-- 
Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
>>http://www.bio.cam.ac.uk/~awd28<<
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