[gmx-users] Re: user-defined proper dihedrals and restraints

[K.A. Feenstra]

Christoph Freudenberger wrote:
> 
[...]
> I think you didn't get Anton right. What he suggested was to define
> a couple of periodic and/or R-B functions on the same quartet of atoms.
> The resulting pontential function will be the sum of all these functions.
> See the gnuplot i attached as example.
> The sum of the two functions remains continous and differentable at
> -180/180 deg.

Exactly! -- thanks for clarifying...


-- 
Groetjes,

Anton
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|        | Anton Feenstra                                            |
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