* Perturbational script
*

open read unit 15  card name "46otoph19.rtf"
read rtf unit 15 card
close unit 15

open read unit 10 card name "jl_param19.prm"
read param unit 10 card
close unit 10


OPEN READ UNIT 12 CARD NAME "carboxyls/caaceball.psf"
READ PSF UNIT 12 CARD
CLOSE UNIT 12

OPEN READ UNIT 11 CARD NAME "carboxyls/caaceball.crd"
READ COOR UNIT 11 CARD
CLOSE UNIT 11

stream "ssbp.str"

mini ABNR nstep 500 nprint 100 -
     switch vswitch cutnb 50 ctonnb 48 ctofnb 49


coor distance sele type CA1 end sele type O* end

STOP