[lammps-users] sphere parameters

Dear all,

I have constructed a sphere and now I would like to know how to interpret the following line:

fix 1 all indent K sphere x y z R units box side in

namely, I would like my sphere to have a diameter of 0.00027 Angstroms and my polymer is about 90 angstroms in length... when I put R=0.00027 LAMMPS is not happy about my fene bonds... also, what are the xyz values in this indent and what can be reasonable values for the above mentioned sphere diameter?

Thank you very much!

Anna

Fix indent places a sphere whose surface repels particles
at position x,y,z with radius R. The K is the strength
of the repelling force. It's up to you to choose reasonable
parameters for your system.

Steve

Dear all,

I have constructed a sphere and now I would like to know how to
interpret the following line:

fix 1 all indent K sphere x y z R units box side in

namely, I would like my sphere to have a diameter of 0.00027 Angstroms

are you _sure_ you want a sphere of _this_ small a diameter??
this is smaller than the core of an atom.

axel.