-I: Adding /home/jwang/git/amber/dat/leap/prep to search path. -I: Adding /home/jwang/git/amber/dat/leap/lib to search path. -I: Adding /home/jwang/git/amber/dat/leap/parm to search path. -I: Adding /home/jwang/git/amber/dat/leap/cmd to search path. -s: Ignoring startup file: leaprc -f: Source leap_bcc.in. Welcome to LEaP! Sourcing: ./leap_bcc.in ----- Source: /home/jwang/git/amber/dat/leap/cmd/leaprc.gaff ----- Source of /home/jwang/git/amber/dat/leap/cmd/leaprc.gaff done Log file: ./leap.log Loading parameters: /home/jwang/git/amber/dat/leap/parm/gaff.dat Reading title: AMBER General Force Field for organic molecules (Version 1.6, September 2013) Loading parameters: ./frcmod_bcc Reading force field modification type file (frcmod) Reading title: remark goes here Loading Mol2 file: ./nad_bcc.mol2 Reading MOLECULE named MOL Checking Unit. WARNING: The unperturbed charge of the unit: -0.999000 is not zero. -- ignoring the warning. Building topology. Building atom parameters. Building bond parameters. Building angle parameters. Building proper torsion parameters. Building improper torsion parameters. --Impropers: 1 C10 - H10 - N2 - H11 1 C16 - C17 - N3 - C21 1 C17 - C19 - C20 - N7 1 C19 - H22 - N6 - H23 1 C5 - C6 - N1 - C11 1 C6 - C8 - C7 - H8 1 C7 - C9 - C8 - H9 1 C8 - C10 - C9 - C11 1 C9 - N2 - C10 - O3 1 N1 - C7 - C6 - H7 1 N1 - C9 - C11 - H12 1 N3 - N4 - C17 - C20 1 N3 - N7 - C21 - H24 1 N4 - N5 - C18 - H21 1 N5 - N6 - C19 - C20 total 15 improper torsions applied Building H-Bond parameters. Incorporating Non-Bonded adjustments. Not Marking per-residue atom chain types. Marking per-residue atom chain types. (Residues lacking connect0/connect1 - these don't have chain types marked: res total affected MOL 1 ) (no restraints) Quit