some problem about the center of mass

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1

Hi

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 .

2

One can try by the following command
compute COM all com
fix ave_COM all ave/time 1 1 1 c_COM[1] c_COM[2] c_COM[3] file COM.data

Pritam

3

Thanks for you help, and do i need the dump or thermo command in the next ? Or only this command is enough.

4

only this command is enough.
Pritam

5

You can also output the values from compute com

in thermo output directly (i.e. w/out averaging via

fix ave/time).

Steve