[MMTK] values of a field

Ramon Crehuet rcrehuet at gmail.com
Fri May 4 08:18:39 UTC 2007


OK. I guess it is as simple as:
field(Vector(-0.001528,-0.000605,-0.000350))

or:
field(universe2.protein[1][20].atomList()[4].position())

where field is an AtomicVectorField.

Sorry for such a simple question!
Ramon




2007/5/3, Ramon Crehuet <rcrehuet at gmail.com>:
>
> Hi all!
> I feel I am asking a simple question, but I can't find a solution...
> I have done a normal mode calculation and stored the modes in an object
> called "modes". Now I create a field for a given mode as:
> field = AtomicVectorField(universe, 0.5, modes[6])
>
> And I'd like to know the value of the field in different 3D points (the
> position of atoms different from the Calphas I used to calculate the
> modes, in order to get the movement of all the atoms, not only the
> Calphas). How can this be done?
>
> Or put in another way, if I do a Calpha normal mode calculation, how can I
> interpolate the movements of the all-atom model?
>
> Thanks in advance!
> Ramon
>
>
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