logfile leapante.log
addAtomTypes {
       { "nh" 	 "N" 	 "sp3" }
       { "c" 	 "C" 	 "sp2" }
       { "n3" 	 "N" 	 "sp3" }
       { "hn" 	 "H" 	 "sp3" }
       { "oh" 	 "O" 	 "sp3" }
       { "cc" 	 "C" 	 "sp2" }
       { "na" 	 "N" 	 "sp2" }
       { "ca" 	 "C" 	 "sp2" }
       { "nc" 	 "N" 	 "sp2" }
       { "o" 	 "O" 	 "sp2" }
       { "n" 	 "N" 	 "sp2" }
       { "cl" 	 "Cl" 	 "sp3" }
       { "ss" 	 "S" 	 "sp2" }
       { "ha" 	 "H" 	 "sp3" }
       { "h4" 	 "H" 	 "sp3" }
       { "c3" 	 "C" 	 "sp3" }
       { "hc" 	 "H" 	 "sp3" }
       { "cd" 	 "C" 	 "sp2" }
       { "nb" 	 "N" 	 "sp2" }
       { "h1" 	 "H" 	 "sp3" }
       { "ho" 	 "H" 	 "sp3" }
}
ligfrc = loadAmberParams ante_dasatinib.gaff.frcmod
lig = loadMol2 dasatinib.gaff_pchk.mol2
saveAmberParm lig lig.top lig.crd
quit