source leaprc.protein.ff14SB
source leaprc.water.spce
mol = loadpdb 4V2Y_A_fixed.pdb
solvatebox mol SPCBOX 8
addions mol Cl- 0
savepdb mol Zn_4V2Y.pdb
saveamberparm mol Zn_4V2Y.prmtop Zn_4V2Y.inpcrd
quit
