Make sure that AMBERHOME points to /usr/local/amber12.
# # cat leap.script source leaprc.ff12SB loadamberparams frcmod.ionsjc_tip3p test = loadPdb aligned.pdb check test solvateBox test TIP3PBOX 7.0 iso addions test Na+ 2 saveAmberParm test test.prmtop test.crd savepdb test test.pdb # # # tleap -s -f leap.script # # vmd -dispdev text test.prmtop test.crd set all [atomselect top all] $all writepsf ionized.psf quit # #