In my recent study, i want to output the center of mass in my simulation. Until now , i know " compute com " command can calculate the center of mass. I want to know how can i output the result that contains the coordinates of all the center, and output every step .
One can try by the following command
compute COM all com
fix ave_COM all ave/time 1 1 1 c_COM c_COM c_COM file COM.data
Thanks for you help, and do i need the dump or thermo command in the next ? Or only this command is enough.
only this command is enough.
You can also output the values from compute com
in thermo output directly (i.e. w/out averaging via