[gmx-users] Dihedral convention

[Parvez Mh]

I am talking about improper dihedral function type 2.

--Masrul

On Wed, Apr 13, 2016 at 7:21 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 4/13/16 2:51 PM, Parvez Mh wrote:
>
>> Dear all:
>>
>> I would like to  use a harmonic type potential for dihedral. Should i use
>> angle value (-180 to 180 ) or (0 to 360) convention. My equilibrium angle
>> is -64 degree. then what would be the angle -64 or (-64+360=)296 degree?
>>
>>
> Unless you're writing your own code for new functions, there is no such
> thing as a harmonic dihedral.  See the manual, Chapter 4, for available
> functional forms.
>
> -Justin
>
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