subroutine char SEGMENTS int THE_MAP ! renames new waters to prevent deletions of already accepted solvents rename segm WAT sele segm name WAT2 end set vari II int segm sele segm name WAT end if ( II .gt. 0 ) then set vari WORK_SEGM char global - segm sele segm name WORK_SEGM .o segm name WAT end end_if set weight sele atom name H* .a segm name SEGMENTS end = 0.0 set temp sele atom name H* .a segm name SEGMENTS end = 0.0 set temp sele temp -0.1 0.1 .a .not atom name H* .a \ segm name SEGMENTS end = 25.0 ! resets Bs for rebuilt atoms ! include all the non equivalent residues here key out sele .not all end