"fix smd", the unit of the output value

LAMMPS LAMMPS General Discussion
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1

Hi everyone,

I’m performing a dpd simulation and trying to pull a polymer chain out of a vesicle made of polymer using fix smd to calculate the PMF of the polymer leaving the vesicle. I am confused about the unit of the output result of fix smd. According to the manual, I understand that the output unit is the reduced unit used by dpd simulation. But in fact, its size in terms of “distance between the two reference points” is significantly smaller than expected by ten orders of magnitude. How to solve this problem?

ps: Attach in, data and log files containing fix smd results.

in.line.lmp (3.6 KB)
line log.lammps (800.0 KB)
line.data (4.9 MB)

2

Does the output change if you use “thermo_modify norm no”?

3

Problem solved, thank you very much for your suggestions! ! !

Step f_pull1[1] f_pull1[2] f_pull1[3] f_pull1[4] f_pull1[5] f_pull1[6] f_pull1[7]
0 0 0 0 0 38.678876 38.678886 0