* Perturbational script
*

open read unit 15  file name "../AMINO.BIN"
read rtf unit 15 file
close unit 15

open read unit 10 file name "../parmd.bin"
read param unit 10 file
close unit 10

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

OPEN READ UNIT 11 CARD NAME "../psf/mgcabpball.crd"
READ COOR UNIT 11 CARD
CLOSE UNIT 11

OPEN READ UNIT 41 FILE NAME "MGCABPEQUIL_UNCONS_simul.DCD"
TRAJECTORY IREAD 41 NREAD 1

prnlev 4
set 1 1 
label loop
traj read
coor dist sele segid ION end sele type O* end -
cut 10.5   HIST HMIN 0.0 HMAX 10.0 HNUM 50 HSAVE
incr 1 by 1
if 1 .lt. 2000.5 goto loop
coor dist sele segid ION end sele type O* end -
cut 10.5   HIST HMIN 0.0 HMAX 10.0 HNUM 50 HNORM 2000.0 HPRINT

STOP