vmd_prepare_ligand_after_gui_autopsf

package require solvate  
solvate psf-solvated.psf psf-solvated.pdb -t 15 -o ligand_wb 
package require autoionize
autoionize -psf ligand_wb.psf -pdb ligand_wb.pdb -neutralize -o ionized
set ubq [atomselect top all]
measure minmax $ubq   
measure center $ubq
exit