Hi all, I want to get the data of msd of one specific group, I’m not sure that my commands are correct.
Here is commands:
compute MSD A4 msd com yes
A4 is the group that I focus on
fix 2 A4 ave/time 1 100 100 c_MSD file msd_O2.txt
I hope I describe my question clearly for any’s clarification.
Any advice would be appreciated.