-I: Adding /server-home/netbin/amber11/dat/leap/prep to search path. -I: Adding /server-home/netbin/amber11/dat/leap/lib to search path. -I: Adding /server-home/netbin/amber11/dat/leap/parm to search path. -I: Adding /server-home/netbin/amber11/dat/leap/cmd to search path. -f: Source build.leaprc. Welcome to LEaP! (no leaprc in search path) Sourcing: ./build.leaprc ----- Source: /server-home/netbin/amber11/dat/leap/cmd/leaprc.ff99SB ----- Source of /server-home/netbin/amber11/dat/leap/cmd/leaprc.ff99SB done Log file: ./leap.log Loading parameters: /server-home/netbin/amber11/dat/leap/parm/parm99.dat Reading title: PARM99 for DNA,RNA,AA, organic molecules, TIP3P wat. Polariz.& LP incl.02/04/99 Loading parameters: /server-home/netbin/amber11/dat/leap/parm/frcmod.ff99SB Reading force field modification type file (frcmod) Reading title: Modification/update of parm99.dat (Hornak & Simmerling) Loading library: /server-home/netbin/amber11/dat/leap/lib/all_nucleic94.lib Loading library: /server-home/netbin/amber11/dat/leap/lib/all_amino94.lib Loading library: /server-home/netbin/amber11/dat/leap/lib/all_aminoct94.lib Loading library: /server-home/netbin/amber11/dat/leap/lib/all_aminont94.lib Loading library: /server-home/netbin/amber11/dat/leap/lib/ions94.lib Loading library: /server-home/netbin/amber11/dat/leap/lib/solvents.lib Loading Prep file: /server-home/netbin/amber11/dat/leap/prep/chcl3.in WARNING - 1 of 8 atoms missing charges on atoms lines: chloroform Loading parameters: /server-home/netbin/amber11/dat/leap/parm/frcmod.chcl3 Reading force field modification type file (frcmod) Reading title: chloroform frcmod file ACE ALA ARG ASH ASN ASP CALA CARG CASN CASP CCYS CCYX CGLN CGLU CGLY CHCL3BOX CHID CHIE CHIP CHIS CILE CIO CL3 CLEU CLYS CMET CPHE CPRO CSER CTHR CTRP CTYR CVAL CYM CYS CYX Cl- Cs+ DA DA3 DA5 DAN DC DC3 DC4 DC5 DCN DG DG3 DG5 DGN DT DT3 DT5 DTN GLH GLN GLU GLY HID HIE HIP HIS HOH IB ILE K+ LEU LYN LYS Li+ MEOHBOX MET MG2 NALA NARG NASN NASP NCYS NCYX NGLN NGLU NGLY NHE NHID NHIE NHIP NHIS NILE NLEU NLYS NMABOX NME NMET NPHE NPRO NSER NTHR NTRP NTYR NVAL Na+ PHE PL3 POL3BOX PRO QSPCFWBOX RA RA3 RA5 RAN RC RC3 RC5 RCN RG RG3 RG5 RGN RU RU3 RU5 RUN Rb+ SER SPC SPCBOX SPCFWBOX SPF SPG T4E THR TIP3PBOX TIP3PFBOX TIP4PBOX TIP4PEWBOX TP3 TP4 TP5 TPF TRP TYR VAL WAT frcmod99SBparm99 Solute vdw bounding box: 11.957 16.870 7.236 Total bounding box for atom centers: 27.957 32.870 23.236 Solvent unit box: 18.774 18.774 18.774 Total vdw box size: 31.398 35.779 26.192 angstroms. Volume: 29423.520 A^3 Total mass 10735.616 amu, Density 0.606 g/cc Added 580 residues. Solvent has no box, so preparing by making box including vdw (Use 'setBox centers' first if box was pre-equilibrated) Solute vdw bounding box: 31.398 35.779 26.192 Total bounding box for atom centers: 81.398 85.779 76.192 Solvent unit box: 4.790 5.866 6.286 Total vdw box size: 81.817 88.870 69.144 angstroms. Volume: 502750.092 A^3 Total mass 318705.056 amu, Density 1.053 g/cc Added 2580 residues. Solute vdw bounding box: 81.817 88.870 69.144 Total bounding box for atom centers: 87.817 94.870 75.144 Solvent unit box: 18.774 18.774 18.774 Total vdw box size: 91.323 97.992 78.086 angstroms. Volume: 698790.346 A^3 Total mass 361637.184 amu, Density 0.859 g/cc Added 2383 residues. Checking Unit. Building topology. Building atom parameters. Building bond parameters. Building angle parameters. Building proper torsion parameters. Building improper torsion parameters. total 8 improper torsions applied Building H-Bond parameters. 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 2963 ) (no restraints) Quit