janus particle simulation

Please reply to the list, not to me.

a) the compute property/atom command can store the quaternion
of an ellipsoid, which can then be accessed by dump custom.

b) as the doc page for fix wall/srd says, any of the wall positions
can be specified as a variable, presumably time-varying. So
the variable doc page tells you what can be computed in a variable.

I don’t know what the “x” in sin(x) means. If you mean the position
of the x wall, then presumably it is also a variable, so could write
a y variable like sin(v_x).


Thank you for your reply. I still have a question regarding part b of your answer

x is not the position of the x wall neither is it the position of any atom. I want to generate a cavity as shown in the attached file. I don’t want straight lines rather a sin curve as a wall i.e. the yhi or ylo are not constant values but they vary with x. How can I generate this?



Cavity.eps (21 KB)

It looks you want to define a region boundary as a wall. There
are 2 problems with that.

a) there would need to be a fix wall/srd/region command
to make a region boundary work with SRD particles.
No one has done that. Someone (you) would have
to write code to make that work.

b) There is no region that has a sinusoidal boundary.
Someone (again you) would have to add a region/sine style or
the like.