[lammps-users] Possible bug: msd output

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1

Hi all,

If I set command for msd output in my input file just like that:

compute 1 A msd # A,B for group id

fix msd A ave/time 100 1 100 c_1 file Amsd.file mode vector

compute 2 B msd

fix msd B ave/time 100 1 100 c_1 file Bmsd.file mode vector

Finally,I have the output of Bmsd.file.The Amsd.file had been passed,and no complete output.In my output file ,there is a warning: Replacing a fix, but new group != old group.

How can I output two msd file in the same time?

Thanks a lot!
Jinhong Zhou

2

You need to give the 2 fixes different IDs - you called
them both "msd", so LAMMPS is warning you.

Steve