-I: Adding /uufs/chpc.utah.edu/common/home/u0827715/Amber/GIT/amber-lonepeak/dat/leap/prep to search path. -I: Adding /uufs/chpc.utah.edu/common/home/u0827715/Amber/GIT/amber-lonepeak/dat/leap/lib to search path. -I: Adding /uufs/chpc.utah.edu/common/home/u0827715/Amber/GIT/amber-lonepeak/dat/leap/parm to search path. -I: Adding /uufs/chpc.utah.edu/common/home/u0827715/Amber/GIT/amber-lonepeak/dat/leap/cmd to search path. -s: Ignoring startup file: leaprc -f: Source buildit-full.in. Welcome to LEaP! Sourcing: ./buildit-full.in ----- Source: /uufs/chpc.utah.edu/common/home/u0827715/Amber/GIT/amber-lonepeak/dat/leap/cmd/leaprc.ff12SB ----- Source of /uufs/chpc.utah.edu/common/home/u0827715/Amber/GIT/amber-lonepeak/dat/leap/cmd/leaprc.ff12SB done Log file: ./leap.log Loading parameters: /uufs/chpc.utah.edu/common/home/u0827715/Amber/GIT/amber-lonepeak/dat/leap/parm/parm10.dat Reading title: PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA Loading parameters: /uufs/chpc.utah.edu/common/home/u0827715/Amber/GIT/amber-lonepeak/dat/leap/parm/frcmod.ff12SB Reading force field modification type file (frcmod) Reading title: ff12SB protein backbone and sidechain parameters Loading library: /uufs/chpc.utah.edu/common/home/u0827715/Amber/GIT/amber-lonepeak/dat/leap/lib/amino12.lib Loading library: /uufs/chpc.utah.edu/common/home/u0827715/Amber/GIT/amber-lonepeak/dat/leap/lib/aminoct12.lib Loading library: /uufs/chpc.utah.edu/common/home/u0827715/Amber/GIT/amber-lonepeak/dat/leap/lib/aminont12.lib Loading library: /uufs/chpc.utah.edu/common/home/u0827715/Amber/GIT/amber-lonepeak/dat/leap/lib/nucleic12.lib Loading library: /uufs/chpc.utah.edu/common/home/u0827715/Amber/GIT/amber-lonepeak/dat/leap/lib/atomic_ions.lib Loading library: /uufs/chpc.utah.edu/common/home/u0827715/Amber/GIT/amber-lonepeak/dat/leap/lib/solvents.lib Loading library: /uufs/chpc.utah.edu/common/home/u0827715/Amber/GIT/amber-lonepeak/dat/leap/lib/atomic_ions.lib Loading parameters: /uufs/chpc.utah.edu/common/home/u0827715/Amber/GIT/amber-lonepeak/dat/leap/parm/frcmod.ionsjc_tip3p Reading force field modification type file (frcmod) Reading title: Monovalent ion parameters for Ewald and TIP3P water from Joung & Cheatham JPCB (2008) Loading PDB file: ./init.pdb total atoms in file: 63 Checking 'm'.... WARNING: The unperturbed charge of the unit: -1.000000 is not zero. Warning: Close contact of 0.970297 angstroms between .R.A and .R.A
Checking parameters for unit 'm'. Checking for bond parameters. Checking for angle parameters. check: Warnings: 2 Unit is OK. Checking 'm'.... WARNING: The unperturbed charge of the unit: -1.000000 is not zero. Warning: Close contact of 0.970297 angstroms between .R.A and .R.A
Checking parameters for unit 'm'. Checking for bond parameters. Checking for angle parameters. check: Warnings: 2 Unit is OK. Solute vdw bounding box: 12.563 11.558 10.196 Total bounding box for atom centers: 33.723 33.723 33.723 (box expansion for 'iso' is 10.9%) Solvent unit box: 18.774 18.774 18.774 Volume: 49828.855 A^3 Total mass 20189.822 amu, Density 0.673 g/cc Added 1088 residues. 1 Na+ ion required to neutralize. Adding 1 counter ions to "m" using 1A grid Grid extends from solute vdw + 1.37 to 7.47 Resolution: 1.00 Angstrom. grid build: 0 sec Solvent present: replacing closest with ion when steric overlaps occur Calculating grid charges charges: 0 sec (Replacing solvent molecule) Placed Na+ in m at (-6.98, -1.01, -4.34). Done adding ions. Na+ has a charge of 0. Adding the ions anyway. Adding 10 counter ions to "m" using 1A grid Grid extends from solute vdw + 5.59 to 11.69 Resolution: 1.00 Angstrom. grid build: 0 sec Solvent present: replacing closest with ion when steric overlaps occur Calculating grid charges charges: 0 sec (Replacing solvent molecule) Placed Na+ in m at (9.49, -0.06, -0.47). (Replacing solvent molecule) Placed Cl- in m at (13.28, 0.80, -0.13). (Replacing solvent molecule) Placed Na+ in m at (14.10, 4.27, 1.77). (Replacing solvent molecule) Placed Cl- in m at (13.77, 7.19, 2.44). (Replacing solvent molecule) Placed Na+ in m at (13.00, 10.12, 2.54). (Replacing solvent molecule) Placed Cl- in m at (11.23, 11.88, 1.34). (Replacing solvent molecule) Placed Na+ in m at (7.99, 12.81, 0.74). (Replacing solvent molecule) Placed Cl- in m at (4.83, 12.43, 4.21). (Replacing solvent molecule) Placed Na+ in m at (4.88, 12.09, 7.85). (Replacing solvent molecule) Placed Cl- in m at (3.61, 14.38, -1.52). Done adding ions. Checking Unit. Building topology. Building atom parameters. Building bond parameters. Building angle parameters. Building proper torsion parameters. Building improper torsion parameters. total 12 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 WAT 1075 ) (no restraints) Quit