Dear Lammps users,
Now I have problem with the output of “fix smd” (steered MD). In the manual, it says we can get a vector list of 7 quantities associated with this fix by various output command.
In the input file, I have
fix 6 hi1 smd cvel 215.0 -0.00001 tether NULL 60.0 NULL 0.0
thermo_style custom step temp pe emol etotal press vol f_6
I got the error message of
ERROR: Thermo fix ID does not compute scalar info
I did compile this package with “user-smd” package and I can run this code completely if I didn’t put “f_6” in “thermo_style”.
Could anyone tell me how solve this problem, please?
Most appreciate.
Sincerely
Yajie Lei