# build the ideal bond angle geometry;
nzinactive 0 10000000;
use none bond;
cngdel 100;
use angle; cngdel 10;
#v_maxwell 300;# pac 20 .00001;
gsdg 20;
cngdel 100;
use none hybrid;
cngdel 10;
use none bond angle hybrid; cngdel 100;
use none hybrid;
cngdel 10;
use none bond angle hybrid; cngdel 100;
use none hybrid;
cngdel 10;
use none bond angle hybrid; cngdel 100;
use torsion ;
cngdel 100;
use  nonbon;
active 0 1000000;
mov ires 1;
loopi end: ires iresm;

# search the alpha-beta and beta-gamma angles of ires;
# do a lot of checking to make it right;
monitor;  #  lets be careful ;

serial ic ires c ;
jes ic pro.c skip: ;
jes ic prx.c skip: ;
jes ic css.c skip: ;
serial ica ires ca ;
serial icb ires cb ;
serial icg ires cg ;
jl ic 0 skip: ;
jl ica 0 skip: ;
jl icb 0 skip: ;
jg icg 0 next: ;
serial icg ires cg1 ;
jg icg 0 next: ;
serial icg ires og ;
jg icg 0 next: ;
jl icg 0 skip: ;

nop; next: ;

tgroup 1 ic ica icb icg 0 6;
tsearch 1;

serial icd ires cd ;
jg icd 0 doit: ;
serial icd ires cd1 ;
jg icd 0 doit: ;
serial icd ires cd2 ;
jg icd 0 doit: ;
serial icd ires sd;
jg icd 0 doit: ;

jl icd 0 search: ;
nop; doit: ;
tgroup 2 ica icb icg icd  0 6;
tsearch 1 2;
jes ic tyr.c search: ;
jes ic phe.c search: ;
jes ic his.c search: ;
serial ice ires ce;
jg ice 0 doit2: ;
serial ice ires ce1;
jg ice 0 doit2: ;
serial ice ires ce2;
jg ice 0 doit2: ;
serial ice ires ne;
jg ice 0 doit2: ;
jl ice 0 search: ;
nop; doit2: ;
tgroup 3 icb icg icd ice 0 6;
tsearch 1 2 3;
search: ;

monitor;
skip: ; #default exit;
end: ;