source leaprc.protein.ff19SB
source leaprc.gaff2
source leaprc.water.opc

loadamberparams PNS.frcmod2
loadamberparams PNS.frcmod1
loadoff PNS.lib

mol = loadpdb ../5kp7_clean_fix_modify.pdb

solvateoct mol OPCBOX 8.0
addionsrand mol Na+ 0

saveamberparm mol 5kp7-bcc.prmtop 5kp7-bcc.inpcrd
savepdb mol 5kp7-bcc.pdb

quit