Dear plumed deveolpers and users:
I built lammps with plumed in a shared mode to compute the free energy surface of a lennard-jones system.
I used reduced units lj in the input file for lammps, so i wonder what units is suitable for plumed.dat file. I know
units that simplemd command used is reduced, but i found that the units command can not implement this function.
Afterwards, i tried to set some units (distance, energy, mass, Kb) as basic units and to derive some other units
(time, temperature, force, and so on) as lammps did where the four units mass, energy, kb, distance all are set to 1.
As a result, it did not work because i did not konw how to deal with Kb.
In this case, how could i use this units command? If i set this command as default units ,does it work ?
Any suggestiones for me will be appreciated, many thanks!
Su