subroutine char SEGMENTS int THE_MAP 

! renames new waters to prevent deletions of already accepted solvents
rename segm WAT sele segm name WAT2 end  

<DEF_ALL SEGMENTS

ener pair off diel = 2.0 ! reduces electrostatics
set weight sele atom name H* end = 0.0 ! kick out H's from calculation
set temp sele atom name H* end = 0.0 

set temp sele temp -0.1 0.1 .a .not atom name H* end = 30.0 ! resets Bs for rebuilt atoms
set temp sele temp 60 1000. end = 60  
set temp sele temp -10000 5 end = 5



set vari MAP_XLSQ = nmaps + 1

if ( REF_METHOD .eq. "REF_XLSQ" ) then

 ener x-targ on \ 
      x-targ scale = 800.0 \ 
      x-targ map MAP_XLSQ
 make map 3 from 1 init cell real 
 mini position  \ 
      sele segm name = SEGMENTS end \  
     phase sele WORK_REFL end \
      step = 30 \   
      writ = 1
 delete map 3
 ener dens on
end_if

if ( REF_METHOD .eq. "REF_DIFF" ) then

! scal similar wa (xplor): larger more X-ray, smaller more chem (5000. medium);
! start with something and ANA_BOND/ANGL to adjust

ener  dens on dens map 3 dens scal = 5000.0 dens poly 

! the real minimize statement
! 47 steps total; recalc map every 15 steps; gain = bonus for reducing R
! result output every 5 steps

make map 3 from 1  real init cell
mini position  sele segm name = SEGMENTS end \  
     step = 30 \              
     phase step = 15 \ 
     phase sele WORK_REFL end \
     gain = 600000.0 \ 
     writ = 5 
end_if
delete map 3
if ( REF_METHOD .eq. "REF_DENS" ) then

ener  dens on dens map 1  dens scal = 200.0 dens poly 

mini position  sele segm name = SEGMENTS end \  
     step = 30 \              
     writ = 5 

end_if


! reset scal for MINIMIZE (later on ...)
ener  dens ( on map MAP_2FOFC scal = 200.0 poly ) \ 
      ncs off
mini position writ 10 step 80
return