please always cc: the list in your responses.
Hi, I didn't understand Steve well. In my group definition, i have
assigned the id to each small particle(60 here). And i also assigned the
charge to particles we want in input data file. For example, 5 particles
are charged positive, another 5 are negative, the rest particles are
neutral. Then these 60 particles is treated as a group.
sorry, but i don't see why you cannot follow steve's advice
and use molecule ids instead of groups. from the little piece
of input it is not very obvious what you cannot re-arrange
the few group definitions that are used for real.
axel.
Sorry, this is my first time to use mail list. I forgot to cc the response to the mail list.
I haven’t understand Steve. For example, in my input file, i use group command to collect 60 particle id together as a group.
so you mean use another command to replace the group. Steve said i should use molecule commands to replace group. Which command can have the same function as the group command? My input file can work, But i want to increse the C60 groups. Lammps can not allow the groups which are more than 32.
Thanks your response.
2011/4/23 Axel Kohlmeyer <[email protected]>
Hi, Suzan. To chime in - maybe more people telling you the same thing will help - just make the different C60’s different molecules, and write any extra needed postprocessing or fixes accordingly. Trust me, it will be much easier than trying to change group structure.
Best,
Rob
Ok. It seems i need stop using group structure.
Thank you all!
2011/4/23 Robert Hoy <robertscotthoy@…24…>