When one uses the Charmm force field, should one then use units style “real”?
Best Regards,
Sten Sarman
When one uses the Charmm force field, should one then use units style
"real"?
you can use any units you want, for as long as you suitably
convert/adapt the values of the parameters. by default charmm uses
similar units, but it has a different way of storing the individual
force field parameters in the parameter files or tables than what
LAMMPS uses.
axel.