
source leaprc.ff99SB
source leaprc.gaff
loadamberparams SB3.frcmod
loadoff SB3.lib
A=loadpdb 001_v0_l00.pdb
remove A A.SB3
solvateoct A TIP3PBOX 0.0 5.0
saveamberparm A L8-smallPBC-noSB3.prmtop 001_v1_l00.rst
quit
