source leaprc.protein.ff14SB
source leaprc.gaff2
source leaprc.water.tip3p
addAtomTypes {
    { "Z3" "N" "sp2" }
    { "JS" "H" "sp3" }
    { "Z2" "C" "sp3" }
    { "Z7" "C" "sp3" }
    { "ZA" "C" "sp2" }
    { "Z5" "N" "sp2" }
    { "ZF" "C" "sp2" }
    { "Z8" "N" "sp2" }
    { "ZC" "C" "sp2" }
    { "JW" "H" "sp3" }
    { "JX" "H" "sp3" }
    { "JO" "C" "sp3" }
    { "JM" "C" "sp2" }
    { "JK" "C" "sp2" }
    { "JI" "C" "sp2" }
    { "JH" "C" "sp2" }
    { "ZQ" "N" "sp2" }
    { "JE" "C" "sp2" }
    { "JA" "C" "sp2" }
    { "ZJ" "N" "sp2" }
    { "J1" "C" "sp2" }
    { "ZD" "N" "sp2" }
    { "JR" "C" "sp2" }
    { "J2" "N" "sp2" }
    { "ZV" "C" "sp3" }
    { "ZS" "C" "sp3" }
    { "ZP" "C" "sp3" }
    { "ZL" "C" "sp3" }
    { "ZI" "C" "sp3" }
    { "ZH" "O" "sp3" }
    { "Z0" "P" "sp3" }
    { "Z9" "O" "sp2" }
    { "ZB" "O" "sp2" }
    { "ZE" "O" "sp3" }
    { "Z1" "P" "sp3" }
    { "ZU" "O" "sp2" }
    { "J0" "O" "sp2" }
    { "JB" "O" "sp3" }
    { "JG" "C" "sp3" }
    { "JD" "C" "sp3" }
    { "J8" "C" "sp3" }
    { "J5" "O" "sp3" }
    { "LH" "H" "sp3" }
    { "J6" "C" "sp3" }
    { "ZY" "C" "sp3" }
    { "ZZ" "N" "sp2" }
    { "JC" "C" "sp2" }
    { "ZM" "N" "sp2" }
    { "J4" "C" "sp2" }
    { "ZG" "N" "sp2" }
    { "JJ" "C" "sp2" }
    { "ZT" "N" "sp2" }
    { "LN" "H" "sp3" }
    { "LO" "H" "sp3" }
    { "JF" "C" "sp2" }
    { "ZW" "N" "sp2" }
    { "JN" "C" "sp2" }
    { "LQ" "H" "sp3" }
    { "LB" "H" "sp3" }
    { "J9" "O" "sp3" }
    { "L7" "H" "sp3" }
    { "J3" "O" "sp3" }
    { "LD" "H" "sp3" }
    { "LC" "H" "sp3" }
    { "LG" "H" "sp3" }
    { "LK" "H" "sp3" }
    { "LL" "H" "sp3" }
    { "LM" "H" "sp3" }
    { "LE" "H" "sp3" }
    { "LF" "H" "sp3" }
    { "ZK" "O" "sp3" }
    { "L9" "H" "sp3" }
    { "L8" "H" "sp3" }
    { "ZO" "O" "sp3" }
    { "L6" "H" "sp3" }
    { "L5" "H" "sp3" }
    { "ZR" "O" "sp3" }
    { "L4" "H" "sp3" }
    { "L3" "H" "sp3" }
    { "L1" "H" "sp3" }
    { "L2" "H" "sp3" }
    { "JQ" "C" "sp2" }
    { "JP" "C" "sp2" }
    { "L0" "H" "sp3" }
    { "ZX" "O" "sp2" }
    { "JY" "H" "sp3" }
    { "J7" "O" "sp2" }
    { "JZ" "H" "sp3" }
    { "JL" "C" "sp3" }
    { "LR" "H" "sp3" }
    { "LS" "H" "sp3" }
    { "LT" "H" "sp3" }
    { "LV" "H" "sp3" }
    { "LW" "H" "sp3" }
    { "JU" "H" "sp3" }
    { "JV" "H" "sp3" }
    { "JT" "H" "sp3" }
    { "Z4" "C" "sp2" }
    { "Z6" "O" "sp2" }
}
loadamberprep HF1_maple.prepin
loadamberparams HF1_maple.frcmod
mol = loadpdb NCAA1_ncaa_tleap.pdb
check mol
charge mol
solvatebox mol TIP3PBOX 10.0
addions mol Na+ 0
addions mol Cl- 0
savepdb mol NCAA1_ncaa_solvated.pdb
saveamberparm mol NCAA1_ncaa.prmtop NCAA1_ncaa.inpcrd
quit