-I: Adding /home/molguin/Desktop/Proj_DFT/Antechamber/amber11/dat/leap/prep to search path. -I: Adding /home/molguin/Desktop/Proj_DFT/Antechamber/amber11/dat/leap/lib to search path. -I: Adding /home/molguin/Desktop/Proj_DFT/Antechamber/amber11/dat/leap/parm to search path. -I: Adding /home/molguin/Desktop/Proj_DFT/Antechamber/amber11/dat/leap/cmd to search path. -s: Ignoring startup file: leaprc -f: Source leap.in. Welcome to LEaP! Sourcing: ./leap.in Loading parameters: ./gaff.dat Reading title: AMBER General Force Field for organic molecules (Version 1.4, March 2010) add. info. at the end Loading parameters: ./Frag_C60-pyrolle.frcmod Reading force field modification type file (frcmod) Reading title: remark goes here Loading Prep file: ./Frag_C60-pyrolle.prep Loading PDB file: ./NEWPDB.PDB Unknown residue: number: 0 type: Terminal/last ..relaxing end constraints to try for a dbase match -no luck Creating new UNIT for residue: sequence: 0 Created a new atom named: C25 within residue: .R< 0> Created a new atom named: C7 within residue: .R< 0> Created a new atom named: C22 within residue: .R< 0> Created a new atom named: C5 within residue: .R< 0> Created a new atom named: C23 within residue: .R< 0> Created a new atom named: C36 within residue: .R< 0> Created a new atom named: C15 within residue: .R< 0> Created a new atom named: C52 within residue: .R< 0> Created a new atom named: C54 within residue: .R< 0> Created a new atom named: C29 within residue: .R< 0> Created a new atom named: C46 within residue: .R< 0> Created a new atom named: C19 within residue: .R< 0> Created a new atom named: C40 within residue: .R< 0> Created a new atom named: C11 within residue: .R< 0> Created a new atom named: C within residue: .R< 0> Created a new atom named: C2 within residue: .R< 0> Created a new atom named: C13 within residue: .R< 0> Created a new atom named: C38 within residue: .R< 0> Created a new atom named: C21 within residue: .R< 0> Created a new atom named: C4 within residue: .R< 0> Created a new atom named: C6 within residue: .R< 0> Created a new atom named: C20 within residue: .R< 0> Created a new atom named: C47 within residue: .R< 0> Created a new atom named: C28 within residue: .R< 0> Created a new atom named: C55 within residue: .R< 0> Created a new atom named: C39 within residue: .R< 0> Created a new atom named: C12 within residue: .R< 0> Created a new atom named: C1 within residue: .R< 0> Created a new atom named: C3 within residue: .R< 0> Created a new atom named: C16 within residue: .R< 0> Created a new atom named: C51 within residue: .R< 0> Created a new atom named: C35 within residue: .R< 0> Created a new atom named: C24 within residue: .R< 0> Created a new atom named: C43 within residue: .R< 0> Created a new atom named: C32 within residue: .R< 0> Created a new atom named: C8 within residue: .R< 0> Created a new atom named: C9 within residue: .R< 0> Created a new atom named: C31 within residue: .R< 0> Created a new atom named: C44 within residue: .R< 0> Created a new atom named: C42 within residue: .R< 0> Created a new atom named: C33 within residue: .R< 0> Created a new atom named: C50 within residue: .R< 0> Created a new atom named: C17 within residue: .R< 0> Created a new atom named: C34 within residue: .R< 0> Created a new atom named: C37 within residue: .R< 0> Created a new atom named: C14 within residue: .R< 0> Created a new atom named: C53 within residue: .R< 0> Created a new atom named: C30 within residue: .R< 0> Created a new atom named: C45 within residue: .R< 0> Created a new atom named: C48 within residue: .R< 0> Created a new atom named: C27 within residue: .R< 0> Created a new atom named: C56 within residue: .R< 0> Created a new atom named: C57 within residue: .R< 0> Created a new atom named: C10 within residue: .R< 0> Created a new atom named: C41 within residue: .R< 0> Created a new atom named: C18 within residue: .R< 0> Created a new atom named: C49 within residue: .R< 0> Created a new atom named: C26 within residue: .R< 0> Created a new atom named: C59 within residue: .R< 0> Created a new atom named: C58 within residue: .R< 0> Created a new atom named: C61 within residue: .R< 0> Created a new atom named: H4 within residue: .R< 0> Created a new atom named: H5 within residue: .R< 0> Created a new atom named: N within residue: .R< 0> Created a new atom named: C60 within residue: .R< 0> Created a new atom named: C62 within residue: .R< 0> Created a new atom named: C64 within residue: .R< 0> Created a new atom named: H within residue: .R< 0> Created a new atom named: C67 within residue: .R< 0> Created a new atom named: H3 within residue: .R< 0> Created a new atom named: C63 within residue: .R< 0> Created a new atom named: H6 within residue: .R< 0> Created a new atom named: C66 within residue: .R< 0> Created a new atom named: H2 within residue: .R< 0> Created a new atom named: C65 within residue: .R< 0> Created a new atom named: H1 within residue: .R< 0> total atoms in file: 76 The file contained 76 atoms not in residue templates Checking Unit. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A

does not have a type. FATAL: Atom .R< 0>.A

does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A

does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A
does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A

does not have a type. FATAL: Atom .R< 0>.A does not have a type. FATAL: Atom .R< 0>.A

does not have a type. Failed to generate parameters Parameter file was not saved. Quit