source leaprc.gaff2
TPS = loadmol2 TPS.mol2
loadamberparams TPS.frcmod
saveoff TPS TPS.lib
loadOff TPS.lib

# --- SPC/Fw manual setup ---
loadAmberParams frcmod.spcfw
set default FlexibleWater on
# Load the SPC/Fw pre-equilibrated box you found
loadoff /proj/pierilab/software/amber/ambertools25/dat/leap/lib/spcfwbox.off

mol = loadpdb 4.pdb
solvatebox mol SPCFWBOX 10.0     # <- SPC/Fw pre-equilibrated water box

loadoff /proj/pierilab/software/amber/ambertools25/dat/leap/lib/atomic_ions.lib
loadAmberParams /proj/pierilab/software/amber/ambertools25/dat/leap/parm/frcmod.ionsjc_spce
addions mol Na+ 0
addions mol Cl- 0
savepdb mol solvated_sys_b.pdb
saveamberparm mol solvated_sys_b.parm7 solvated_sys_b.rst7
quit