pars_mbisgauss.txt

#Fixed charges
#---------------

FIXQ:UNIT Q0 e
FIXQ:UNIT P e
FIXQ:UNIT R angstrom
FIXQ:SCALE 1 1.0
FIXQ:SCALE 2 1.0
FIXQ:SCALE 3 1.0
FIXQ:DIELECTRIC 1.0

# Atomic parameters
# ----------------------------------------------------
# KEY        label  Q_0A              R_A
# ----------------------------------------------------
FIXQ:ATOM        H  0.1314903153  0.7308000000
FIXQ:ATOM        C -0.1316797628  1.1703000000