[gmx-users] Question on [ angles ] in topology file?
Yang Ye
leafyoung at yahoo.com
Fri May 4 19:42:37 CEST 2007
Try angle restraints.
Regards,
Yang Ye
Chze Ling Wee wrote:
> Hi GMX users -
>
> In the [ angles ] section of the topology file for a protein, is there
> a minimum or maximum angle value that can be specified i.e.
>
> [ angles ]
> ; i j k funct angle force.c.
> 1 2 3 1 x 250
>
> Is there a range of values x can take? Can x be negative?
>
> Are x = -90 and x = 270 equivalent?
>
> Cheers
> Chze Ling Wee
>
>
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