USAGE: msi2lmp.exe {-print #} {-class #} {-frc FRC_FILE} {-ignore} {-nocenter} {-shift # # #} – -print (or -p) # is the print level 0 - silent except for error messages 1 - minimal (default) 2 - verbose (usual for developing and checking new data files for consistency) 3 - even more verbose (additional debug info) – -ignore (or -i) ignore errors about missing force field parameters and treat them as warnings instead. – -nocenter (or -n) do not recenter the simulation box around the geometrical center of the provided geometry but rather around the origin – -oldstyle (or -o) write out a data file without style hints (to be compatible with older LAMMPS versions) – -shift (or -s) translate the entire system (box and coordinates) by a vector (default: 0.0 0.0 0.0) – -class (or -c) # is the class of forcefield to use (I or 1 = Class I e.g., CVFF) (O or 0 = OPLS-AA) (II or 2 = Class II e.g., CFFx) default is -class I – -frc (or -f) specifies name of the forcefield file (e.g., cff91)