$PRTEFP group                                (optional)
 
    This group provides control for generating integer
charge EFP fragments for constructing large EFPs.  See
P.A.Molina, H.Li, J.H.Jensen J.Comput.Chem. 24, 1971-1979
(2003)
 
This group is mainly used in RUNTYP=MAKEFP runs.  However,
in MOPAC RUNTYP=ENERGY runs, the presence of a $PRTEFP
group causes AM1 or PM3 charges to be printed and
punched out in a suitable format for EFP calculations.
 
NOPRT  = an array specifying the atoms for which EFP
         multipole and polarizability points will not be
         printed/punched out.
         Example: For a molecule with the connectivity
         A1-A2-A3-A4-A5, NOPRT(1)=4,5 means that multipoles
         centered on atoms 4 and 5, and bond midpoints BO34
         and BO45 are not part of the EFP.
 
MIDPRT = an array specifying atoms whose bond midpoints
         neglected by using NOPRT should be printed out.
         Example: MIDPRT(1)=3 forces the printout of bond
         midpoint BO34.
 
         The neglect of monopoles leads to EFPs with
         overall non-integer charge.  The next keyword
         defines "collection points" to which the removed
         monopoles are added.  Thus, the net charge of the
         EFP=ICHARG.  The presence of this "fictitious"
         charge is compensated for by adding an opposing
         dipole to the collection point.
 
NUMFFD = an array that defines (1) a collection point,
         (2) the number of atoms contributing to monopoles
         to this point, and (3) the numbers of the atoms.
         More than one collection point can be defined.
         An opposing dipole is calculated as -0.5Q*r (Q =
         sum of neglected monopoles, r = distance between
         collection point and nearest neglected monopole)
         and placed at the collection point.
 
         Example: NUMFFD(1)=3,2,4,5.  The sum of monopoles
         at A4, A5, BO34 and BO45 (Q) is added to the A3
         monopole.  A dipole, -0.5Q*r, is placed on A3,
         where r is the distance between A3 and BO34.
         If MIDPRT(1)=3, Q does not include the BO34
         monopole, r is the distance between BO34 and A4,
         and the resulting dipole is centered on BO34.
 
 
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Edited by Shiro KOSEKI on Tue May 17 15:19:38 2022.