Error in rotational energy

Dear Ray and lammps ,

I am trying to calculate rotational energy of each atom for methane. But when I used the compute command, I have received error.

Kinetic energy is working well. According to manual, its same command for rotational energy of each atom. This is the script

group ID################

group Ni type 1

group C type 2

group H type 3

group bottom type 4

group CH4 type 2 3

compute#########################

compute kr CH4 erotate/sphere/atom

dump 1 CH4 custom 50 dump_ch.lammpstrj id type xs ys zs q vx vy vz c_kr

ERROR: Invalid compute style (modify.cpp:814)

I will be thankful if you comment.

Thank you so much for your attention

Best regards,

Leton Saha, PhD

Hi Leton,

I added your commands to /examples/melt/in.met and it worked, with necessary modifications of course. I cannot reproduce your error. I suggest you update your lammps executable, as this compute was added fairly recently in August.

Thanks,
Ray