XPLOR-NIH version 2.9.5 C.D. Schwieters, J.J. Kuszewski, based on X-PLOR 3.851 by A.T. Brunger N. Tjandra, and G.M. Clore J. Magn. Res., 160, 66-74 (2003). http://nmr.cit.nih.gov/xplor-nih User: [unknown] on: x86/Linux at: 04-Jun-04 10:27:36 X-PLOR>remarks file test/noetest3.inp X-PLOR>remarks test NOE symmetry-restraints facility X-PLOR>remarks X-PLOR> X-PLOR>rtf @TOPPAR:toph11.pro end ASSFIL: file /home/schwitrs/xplor/toppar/toph11.pro opened. RTFRDR>REMARKS TOPH11.PRO ( from TOPH10.INP) RTFRDR>REMARKS ============================= RTFRDR>REMARKS Charges and atom order modified for neutral GROUPs. RTFRDR>REMARKS Histidine charges set to Del Bene and Cohen sto-3g calculations. RTFRDR>REMARKS Amide charges set to match the experimental dipole moment. RTFRDR>REMARKS DNA/RNA atoms appended . RTFRDR>REMARKS few atoms never referenced switched off. RTFRDR>REMARKS Default for HIStidines is the doubly protonated state RTFRDR> RTFRDR>set echo=false end RTFRDR> end X-PLOR>parameter @TOPPAR:param11.pro end ASSFIL: file /home/schwitrs/xplor/toppar/param11.pro opened. PARRDR>REMARKS PARAM11.PRO ( from PARAM6A ) PARRDR>REMARKS =========== PARRDR>REMARKS PROTEIN PARAMETERS: PARRDR>REMARKS PEPTIDE GEOMETRY FROM RAMACHANDRAN ET AL BBA 359:298 (1974) PARRDR>REMARKS TORSIONS FROM HAGLER ET AL JACS 98:4600 (1976) PARRDR>REMARKS LENNARD-JONES NONBONDED PARAMETERS WITH SPECIAL TREATMENT OF 1:4 PARRDR>REMARKS CARBON-CARBON INTERACTIONS: JORGENSON ET. AL. PARRDR>REMARKS JACS 103:3976-3985 WITH 1-4 RC=1.80/0.1 PARRDR>REMARKS PARRDR>set echo=false end PARRDR> end X-PLOR> X-PLOR>segment SEGMENT> name=mol1 SEGMENT> molecule name=lys number=1 end SEGMENT>end SEGMNT: 1 residues were inserted into segment "MOL1" XPLOR: current counts (number in parenthesis is maximum) NATOM= 13(MAXA= 200) NBOND= 12(MAXB= 100) NTHETA= 15(MAXT= 100) NGRP= 4(MAXGRP= 100) NPHI= 7(MAXP= 100) NIMPHI= 1(MAXIMP= 100) NDON= 4(MAXPAD= 100) NACC= 1(MAXPAD= 100) NNB= 0(MAXNB= 0) X-PLOR>segment SEGMENT> name=mol2 SEGMENT> molecule name=lys number=1 end SEGMENT>end SEGMNT: 1 residues were inserted into segment "MOL2" XPLOR: current counts (number in parenthesis is maximum) NATOM= 26(MAXA= 200) NBOND= 24(MAXB= 100) NTHETA= 30(MAXT= 100) NGRP= 8(MAXGRP= 100) NPHI= 14(MAXP= 100) NIMPHI= 2(MAXIMP= 100) NDON= 8(MAXPAD= 100) NACC= 2(MAXPAD= 100) NNB= 0(MAXNB= 0) X-PLOR> X-PLOR>delete selection=( not ( name nz or name hz* or name ce )) end SELRPN: 16 atoms have been selected out of 26 MAPIC: Atom numbers being modified XPLOR: current counts (number in parenthesis is maximum) NATOM= 10(MAXA= 200) NBOND= 8(MAXB= 100) NTHETA= 12(MAXT= 100) NGRP= 2(MAXGRP= 100) NPHI= 0(MAXP= 100) NIMPHI= 0(MAXIMP= 100) NDON= 6(MAXPAD= 100) NACC= 0(MAXPAD= 100) NNB= 0(MAXNB= 0) X-PLOR> X-PLOR>coor COOR> natom=10 COOR> 1 LYS CE -0.48402 1.36680 0.00000 MOL1 1 0.00000 X-PLOR> X-PLOR>coor rotate angle=180.0 selection=( segid mol2 ) vector=( 0.0 0.0 1.0) end SELRPN: 5 atoms have been selected out of 10 COOR: using atom subset. Rotation matrix = -1.000000 0.000000 0.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 1.000000 Corresp. Eulerian angles (theta1,theta2,theta3) 180.0000 0.0000 0.0000 Corresp. spherical polar angles (psi,phi,kappa) 90.0000 90.0000 180.0000 Corresp. rotation angle 180.0000 about axis 0.0000 0.0000 1.0000 Corresp. quaternions 0.0000 0.0000 0.0000 1.0000 COOR: rotation center = 0.000000 0.000000 0.000000 COOR: selected coordinates rotated X-PLOR> X-PLOR>coor translate vector=( 1.0 0.0 0.0 ) dist=3.0 selection=( segid mol2 ) end SELRPN: 5 atoms have been selected out of 10 COOR: using atom subset. COOR: translation vector =( 3.000000 0.000000 0.000000 ) COOR: selected coordinates translated X-PLOR> X-PLOR>!write coor end X-PLOR> X-PLOR>flags exclude * include noe end X-PLOR>{ X-PLOR>{* generate one NOE constraint among groups of hydrogens *} X-PLOR>{* ===================================================== *} X-PLOR> X-PLOR>noe X-PLOR> reset X-PLOR> nrestraints=100 X-PLOR> temperature=300.0 X-PLOR> class one X-PLOR> assign ( atom mol1 1 hz* ) ( atom mol2 1 hz*) 4.0 0.08 0.17 X-PLOR> ? X-PLOR>end X-PLOR> X-PLOR>print threshold 0.5 noe X-PLOR>noe scale one 0.5 end X-PLOR>print threshold 0.5 noe X-PLOR>noe scale one 0.8 end X-PLOR>print threshold 0.5 noe X-PLOR>noe scale one 1.0 end X-PLOR>print threshold 0.5 noe X-PLOR> X-PLOR>pick bond ( atom mol1 1 hz1 ) ( atom mol2 1 hz1 ) geometry X-PLOR>pick bond ( atom mol1 1 hz1 ) ( atom mol2 1 hz2 ) geometry X-PLOR>pick bond ( atom mol1 1 hz1 ) ( atom mol2 1 hz3 ) geometry X-PLOR>pick bond ( atom mol1 1 hz2 ) ( atom mol2 1 hz1 ) geometry X-PLOR>pick bond ( atom mol1 1 hz2 ) ( atom mol2 1 hz2 ) geometry X-PLOR>pick bond ( atom mol1 1 hz2 ) ( atom mol2 1 hz3 ) geometry X-PLOR>pick bond ( atom mol1 1 hz3 ) ( atom mol2 1 hz1 ) geometry X-PLOR>pick bond ( atom mol1 1 hz3 ) ( atom mol2 1 hz2 ) geometry X-PLOR>pick bond ( atom mol1 1 hz3 ) ( atom mol2 1 hz3 ) geometry X-PLOR> X-PLOR>energy end X-PLOR> X-PLOR>test first step=0.0001 tol=0.0 selection=( hydrogen ) end X-PLOR> X-PLOR> X-PLOR>{* translate second molecule in order to test switch *} X-PLOR>{* ================================================= *} X-PLOR> X-PLOR>coor translate vector=( 1.0 0.0 0.0 ) dist=3.0 selection=( segid mol2 ) end X-PLOR> X-PLOR>print threshold 0.5 noe X-PLOR> X-PLOR>energy end X-PLOR> X-PLOR>test first step=0.0001 tol=0.0 selection=( hydrogen ) end X-PLOR> X-PLOR> X-PLOR> X-PLOR> X-PLOR>{* add another NOE constraint *} X-PLOR>{* ========================== *} X-PLOR>noe X-PLOR> temperature=300.0 X-PLOR> class two X-PLOR> assign ( atom mol1 1 hz1 ) ( atom mol2 1 hz2 ) 4.0 0.03 0.12 X-PLOR>end X-PLOR> X-PLOR>noe scale two 3.0 end X-PLOR>print threshold 0.5 noe X-PLOR>noe scale two 1.0 end X-PLOR>print threshold 0.5 noe X-PLOR> X-PLOR>energy end X-PLOR> X-PLOR>test first step=0.0001 tol=0.0 selection=( hydrogen ) end X-PLOR> X-PLOR>display $NOE X-PLOR> X-PLOR>{* test NOE PREDict facility *} X-PLOR>{* ========================= *} X-PLOR>noe X-PLOR> predict from=( hydrogen ) to=( hydrogen ) cuton=0.0 cutoff=10.0 end X-PLOR>end X-PLOR> X-PLOR> X-PLOR>{* now test the square-well potential *} X-PLOR>noe X-PLOR> reset X-PLOR> nrestraints=100 X-PLOR> class three X-PLOR> assign ( atom mol1 1 hz1 ) ( atom mol2 1 hz2 ) 4.0 1.0 2.0 X-PLOR> scale three 1.0 X-PLOR> potential three square-well X-PLOR> sqconstant three 20.0 X-PLOR> sqexponent three 4 X-PLOR>end X-PLOR> X-PLOR>print threshold 0.5 noe X-PLOR> X-PLOR>coor translate vector=( 7.0 0.0 0.0 ) sele=( segid mol1 ) end X-PLOR>print threshold 0.5 noe X-PLOR>test first step=0.0001 tol=0.0 selection=( hydrogen ) end X-PLOR>minimize powell nstep=30 end X-PLOR>print threshold 0.5 noe X-PLOR> X-PLOR>coor translate vector=( -10.0 -2.0 -1.0 ) sele=( segid mol1 ) end X-PLOR>print threshold 0.5 noe X-PLOR>test first step=0.0001 tol=0.0 selection=( hydrogen ) end X-PLOR>minimize powell nstep=30 end X-PLOR>print threshold 0.5 noe X-PLOR> X-PLOR> X-PLOR>noe X-PLOR> class four X-PLOR> potential=four=biharmonic X-PLOR> averaging=four=center X-PLOR> assign ( atom mol1 1 hz* ) ( atom mol2 1 hz2 or atom mol2 1 hz1 ) X-PLOR> 4.0 2.0 2.0 X-PLOR>end X-PLOR> X-PLOR>print threshold 0.5 noe X-PLOR>pick bond ( atom mol1 1 hz* ) ( atom mol2 1 hz2 or atom mol2 1 hz1 ) geometry X-PLOR>test first step=0.0001 tol=0.0 selection=( hydrogen ) end X-PLOR> X-PLOR>noe X-PLOR> scale three 0.0 X-PLOR>end X-PLOR>mini powell nstep=20 end X-PLOR>print threshold 0.5 noe X-PLOR> X-PLOR>noe X-PLOR> scale thre 1.0 X-PLOR> sqoffset thre 0.5 X-PLOR>end X-PLOR>print threshold 0.5 noe X-PLOR> X-PLOR>noe X-PLOR> class five X-PLOR> potential=five=square X-PLOR> averaging=five=center X-PLOR> assign ( atom mol1 1 hz1 ) ( atom mol2 1 hz2 ) X-PLOR> 8.0 2.0 2.0 X-PLOR> class six X-PLOR> potential=six=square X-PLOR> averaging=six=center X-PLOR> assign ( atom mol1 1 hz1 ) ( atom mol2 1 hz2 ) X-PLOR> 3.0 2.0 2.0 X-PLOR> countviolations five X-PLOR> display $result X-PLOR> countviolations six X-PLOR> display $result X-PLOR>end X-PLOR>print noe X-PLOR>noe X-PLOR> distribute five six 5.0 X-PLOR>end X-PLOR>print noe X-PLOR>energy end X-PLOR>noe X-PLOR> reset X-PLOR> nrestraints=100 X-PLOR> class five X-PLOR> potential=five=soft X-PLOR> soexponent five 1 X-PLOR> sqconstant five 2.0 X-PLOR> sqexponent five 2 X-PLOR> rswitch five 3.0 X-PLOR> asymptote five 0.0 X-PLOR> averaging=five=center X-PLOR> assign ( atom mol1 1 hz1 ) ( atom mol2 1 hz2 ) X-PLOR> 2.0 2.0 2.0 X-PLOR> class six X-PLOR> potential=six=square X-PLOR> sqconstant six 2.0 X-PLOR> sqexponent six 2 X-PLOR> averaging=six=center X-PLOR> assign ( atom mol1 1 hz1 ) ( atom mol2 1 hz2 ) X-PLOR> 2.0 2.0 2.0 X-PLOR>end X-PLOR>print noe X-PLOR>energy end X-PLOR>noe X-PLOR> rswitch five 4.0 X-PLOR>end X-PLOR>print noe X-PLOR>energy end X-PLOR> X-PLOR>noe X-PLOR> rswitch five 2.0 X-PLOR>end X-PLOR>print noe X-PLOR>energy end X-PLOR> X-PLOR>coor translate sele=( segid mol2 ) vector=( -1.0 -1.0 -1.0 ) end X-PLOR>print noe X-PLOR>coor translate sele=( segid mol2 ) vector=( -1.0 -1.0 -1.0 ) end X-PLOR>print noe X-PLOR>coor translate sele=( segid mol2 ) vector=( -1.0 -1.0 -1.0 ) end X-PLOR>print noe X-PLOR>coor translate sele=( segid mol2 ) vector=( -1.0 -1.0 -1.0 ) end X-PLOR>print noe X-PLOR>coor translate sele=( segid mol2 ) vector=( -1.0 -1.0 -1.0 ) end X-PLOR>print noe X-PLOR>coor translate sele=( segid mol2 ) vector=( -1.0 -1.0 -1.0 ) end X-PLOR>print noe X-PLOR>coor translate sele=( segid mol2 ) vector=( -1.0 -1.0 -1.0 ) end X-PLOR>print noe X-PLOR> X-PLOR> X-PLOR> X-PLOR> X-PLOR> X-PLOR>noe X-PLOR> assign ( atom mol1 1 hz1 ) ( atom mol2 1 hz2) 4.0 0.08 0.17 X-PLOR>end X-PLOR>energy end X-PLOR> X-PLOR>noe X-PLOR> cv=0.4 X-PLOR> ? X-PLOR> print thres=0. X-PLOR>end X-PLOR>energy end X-PLOR>print noe X-PLOR>display $rms $violations X-PLOR>display $test_rms $test_violations X-PLOR> X-PLOR> X-PLOR>} X-PLOR> X-PLOR>coor COOR> natom=10 COOR> 1 LYS CE -0.48402 1.36680 0.00000 MOL1 1 0.00000 %READC-ERR: multiple coordinates for 10 atoms X-PLOR> X-PLOR>noe NOE> NOE> reset NOE> NOE> nrestraints 100 NOE: allocating space for 100 restraints. NOE> NOE> class symm NOE> assign ( atom mol1 1 nz ) ( atom mol2 1 hz1 ) 0.0 0.02 0.02 SELRPN: 1 atoms have been selected out of 10 SELRPN: 1 atoms have been selected out of 10 NOE> assign ( atom mol2 1 nz ) ( atom mol1 1 hz1 ) 0.0 0.00 0.00 SELRPN: 1 atoms have been selected out of 10 SELRPN: 1 atoms have been selected out of 10 NOE> NOE> potential symm symmetry NOE> scale symm 1.0 NOE> sqconstant symm 1.0 NOE> sqexponent symm 2 NOE> soexponent symm 1 NOE> rswitch symm 0.5 NOE> sqoffset symm 0.0 NOE> asymptote symm 0.1 NOE> NOE>end X-PLOR> X-PLOR>pick bond ( atom mol1 1 nz ) ( atom mol2 1 hz1 ) geometry SELRPN: 1 atoms have been selected out of 10 SELRPN: 1 atoms have been selected out of 10 GEOM= 1.040000 X-PLOR>pick bond ( atom mol2 1 nz ) ( atom mol1 1 hz1 ) geometry SELRPN: 1 atoms have been selected out of 10 SELRPN: 1 atoms have been selected out of 10 GEOM= 1.040000 X-PLOR>energy end --------------- cycle= 1 -------------------------------------------------- | Etotal =0.000 grad(E)=0.000 E(NOE )=0.000 | ------------------------------------------------------------------------------- X-PLOR>test first step=0.00001 tol=0.0 selection=( name nz or name hz1 ) end SELRPN: 4 atoms have been selected out of 10 TESTFD: Parameters: STEP= 0.00001 MASSweighting=F TESTFD: The following first derivatives differ by more than TOL= 0.000000 DIM. ATOM ANALYTIC FINITE-DIFF DEVIATION 2 X ( MOL1 1 LYS NZ ) 0.000000 0.000000 0.000000 2 Y ( MOL1 1 LYS NZ ) 0.000000 0.000000 0.000000 2 Z ( MOL1 1 LYS NZ ) 0.000000 0.000000 0.000000 3 X ( MOL1 1 LYS HZ1 ) 0.000000 0.000000 0.000000 3 Y ( MOL1 1 LYS HZ1 ) 0.000000 0.000000 0.000000 3 Z ( MOL1 1 LYS HZ1 ) 0.000000 0.000000 0.000000 7 X ( MOL2 1 LYS NZ ) 0.000000 0.000000 0.000000 7 Y ( MOL2 1 LYS NZ ) 0.000000 0.000000 0.000000 7 Z ( MOL2 1 LYS NZ ) 0.000000 0.000000 0.000000 8 X ( MOL2 1 LYS HZ1 ) 0.000000 0.000000 0.000000 8 Y ( MOL2 1 LYS HZ1 ) 0.000000 0.000000 0.000000 8 Z ( MOL2 1 LYS HZ1 ) 0.000000 0.000000 0.000000 TESTFD: A total of 0 elements were within the tolerance X-PLOR> X-PLOR>coor translate sele=( segid mol2 ) vector=( -0.26 -0.0 -0.0 ) end SELRPN: 5 atoms have been selected out of 10 COOR: using atom subset. COOR: translation vector =( -0.260000 0.000000 0.000000 ) COOR: selected coordinates translated X-PLOR>pick bond ( atom mol1 1 nz ) ( atom mol2 1 hz1 ) geometry SELRPN: 1 atoms have been selected out of 10 SELRPN: 1 atoms have been selected out of 10 GEOM= 0.780000 X-PLOR>pick bond ( atom mol2 1 nz ) ( atom mol1 1 hz1 ) geometry SELRPN: 1 atoms have been selected out of 10 SELRPN: 1 atoms have been selected out of 10 GEOM= 1.300000 X-PLOR>energy end --------------- cycle= 2 -------------------------------------------------- | Etotal =0.250 grad(E)=0.365 E(NOE )=0.250 | ------------------------------------------------------------------------------- X-PLOR>test first step=0.00001 tol=0.0 selection=( name nz or name hz1 ) end SELRPN: 4 atoms have been selected out of 10 TESTFD: Parameters: STEP= 0.00001 MASSweighting=F TESTFD: The following first derivatives differ by more than TOL= 0.000000 DIM. ATOM ANALYTIC FINITE-DIFF DEVIATION 2 X ( MOL1 1 LYS NZ ) 1.000000 0.999986 0.000014 2 Y ( MOL1 1 LYS NZ ) 0.000000 0.000000 0.000000 2 Z ( MOL1 1 LYS NZ ) 0.000000 0.000000 0.000000 3 X ( MOL1 1 LYS HZ1 ) 1.000000 0.999986 0.000014 3 Y ( MOL1 1 LYS HZ1 ) 0.000000 0.000000 0.000000 3 Z ( MOL1 1 LYS HZ1 ) 0.000000 0.000000 0.000000 7 X ( MOL2 1 LYS NZ ) -1.000000 -0.999986 0.000014 7 Y ( MOL2 1 LYS NZ ) 0.000000 0.000000 0.000000 7 Z ( MOL2 1 LYS NZ ) 0.000000 0.000000 0.000000 8 X ( MOL2 1 LYS HZ1 ) -1.000000 -0.999986 0.000014 8 Y ( MOL2 1 LYS HZ1 ) 0.000000 0.000000 0.000000 8 Z ( MOL2 1 LYS HZ1 ) 0.000000 0.000000 0.000000 TESTFD: A total of 0 elements were within the tolerance X-PLOR> X-PLOR>coor translate sele=( segid mol2 ) vector=( -0.26 -0.0 -0.0 ) end SELRPN: 5 atoms have been selected out of 10 COOR: using atom subset. COOR: translation vector =( -0.260000 0.000000 0.000000 ) COOR: selected coordinates translated X-PLOR>pick bond ( atom mol1 1 nz ) ( atom mol2 1 hz1 ) geometry SELRPN: 1 atoms have been selected out of 10 SELRPN: 1 atoms have been selected out of 10 GEOM= 0.520000 X-PLOR>pick bond ( atom mol2 1 nz ) ( atom mol1 1 hz1 ) geometry SELRPN: 1 atoms have been selected out of 10 SELRPN: 1 atoms have been selected out of 10 GEOM= 1.560000 X-PLOR>energy end --------------- cycle= 3 -------------------------------------------------- | Etotal =0.531 grad(E)=0.115 E(NOE )=0.531 | ------------------------------------------------------------------------------- X-PLOR>test first step=0.00001 tol=0.0 selection=( name nz or name hz1 ) end SELRPN: 4 atoms have been selected out of 10 TESTFD: Parameters: STEP= 0.00001 MASSweighting=F TESTFD: The following first derivatives differ by more than TOL= 0.000000 DIM. ATOM ANALYTIC FINITE-DIFF DEVIATION 2 X ( MOL1 1 LYS NZ ) 0.316263 0.316263 0.000000 2 Y ( MOL1 1 LYS NZ ) 0.000000 0.000000 0.000000 2 Z ( MOL1 1 LYS NZ ) 0.000000 0.000000 0.000000 3 X ( MOL1 1 LYS HZ1 ) 0.316263 0.316263 0.000000 3 Y ( MOL1 1 LYS HZ1 ) 0.000000 0.000000 0.000000 3 Z ( MOL1 1 LYS HZ1 ) 0.000000 0.000000 0.000000 7 X ( MOL2 1 LYS NZ ) -0.316263 -0.316263 0.000000 7 Y ( MOL2 1 LYS NZ ) 0.000000 0.000000 0.000000 7 Z ( MOL2 1 LYS NZ ) 0.000000 0.000000 0.000000 8 X ( MOL2 1 LYS HZ1 ) -0.316263 -0.316263 0.000000 8 Y ( MOL2 1 LYS HZ1 ) 0.000000 0.000000 0.000000 8 Z ( MOL2 1 LYS HZ1 ) 0.000000 0.000000 0.000000 TESTFD: A total of 0 elements were within the tolerance X-PLOR> X-PLOR>coor translate sele=( segid mol2 ) vector=( -0.26 -0.0 -0.0 ) end SELRPN: 5 atoms have been selected out of 10 COOR: using atom subset. COOR: translation vector =( -0.260000 0.000000 0.000000 ) COOR: selected coordinates translated X-PLOR>pick bond ( atom mol1 1 nz ) ( atom mol2 1 hz1 ) geometry SELRPN: 1 atoms have been selected out of 10 SELRPN: 1 atoms have been selected out of 10 GEOM= 0.260000 X-PLOR>pick bond ( atom mol2 1 nz ) ( atom mol1 1 hz1 ) geometry SELRPN: 1 atoms have been selected out of 10 SELRPN: 1 atoms have been selected out of 10 GEOM= 1.820000 X-PLOR>energy end --------------- cycle= 4 -------------------------------------------------- | Etotal =0.658 grad(E)=0.071 E(NOE )=0.658 | ------------------------------------------------------------------------------- X-PLOR> X-PLOR>coor translate sele=( segid mol2 ) vector=( -0.26 -0.0 -0.0 ) end SELRPN: 5 atoms have been selected out of 10 COOR: using atom subset. COOR: translation vector =( -0.260000 0.000000 0.000000 ) COOR: selected coordinates translated X-PLOR>pick bond ( atom mol1 1 nz ) ( atom mol2 1 hz1 ) geometry SELRPN: 1 atoms have been selected out of 10 SELRPN: 1 atoms have been selected out of 10 GEOM= 0.000010 X-PLOR>pick bond ( atom mol2 1 nz ) ( atom mol1 1 hz1 ) geometry SELRPN: 1 atoms have been selected out of 10 SELRPN: 1 atoms have been selected out of 10 GEOM= 2.080000 X-PLOR>energy end --------------- cycle= 5 -------------------------------------------------- | Etotal =0.747 grad(E)=0.040 E(NOE )=0.747 | ------------------------------------------------------------------------------- X-PLOR> X-PLOR> X-PLOR> X-PLOR>stop HEAP: maximum use= 892978 current use= 868047 X-PLOR: total CPU time= 0.1600 s X-PLOR: entry time at 10:27:36 04-Jun-04 X-PLOR: exit time at 10:27:36 04-Jun-04