Charm++: standalone mode (not using charmrun)
Info: NAMD 2.6b1 for Win32-i686
Info: 
Info: Please visit http://www.ks.uiuc.edu/Research/namd/
Info: and send feedback or bug reports to namd@ks.uiuc.edu
Info: 
Info: Please cite Kale et al., J. Comp. Phys. 151:283-312 (1999)
Info: in all publications reporting results obtained with NAMD.
Info: 
Info: Based on Charm++/Converse 50900 for net-win32-smp
Info: Built Fri Jul 29 12:33:47 2005 by administrator on malta
Info: Running on 1 processors.
Info: 0 kB of memory in use.
Info: Configuration file is Consensus_ws_eq.conf
TCL: Suspending until startup complete.
Info: SIMULATION PARAMETERS:
Info: TIMESTEP               1
Info: NUMBER OF STEPS        0
Info: STEPS PER CYCLE        10
Info: LOAD BALANCE STRATEGY  Other
Info: LDB PERIOD             2000 steps
Info: FIRST LDB TIMESTEP     50
Info: LDB BACKGROUND SCALING 1
Info: HOM BACKGROUND SCALING 1
Info: MAX SELF PARTITIONS    50
Info: MAX PAIR PARTITIONS    20
Info: SELF PARTITION ATOMS   125
Info: PAIR PARTITION ATOMS   200
Info: PAIR2 PARTITION ATOMS  400
Info: MIN ATOMS PER PATCH    100
Info: INITIAL TEMPERATURE    310
Info: CENTER OF MASS MOVING? NO
Info: DIELECTRIC             1
Info: EXCLUDE                SCALED ONE-FOUR
Info: 1-4 SCALE FACTOR       1
Info: DCD FILENAME           Consensus_autopsf_ws_eq.dcd
Info: DCD FREQUENCY          250
Info: DCD FIRST STEP         250
Info: NO EXTENDED SYSTEM TRAJECTORY OUTPUT
Info: NO VELOCITY DCD OUTPUT
Info: OUTPUT FILENAME        Consensus_autopsf_ws_eq
Info: BINARY OUTPUT FILES WILL BE USED
Info: RESTART FILENAME       Consensus_autopsf_ws_eq.restart
Info: RESTART FREQUENCY      500
Info: BINARY RESTART FILES WILL BE USED
Info: SWITCHING ACTIVE
Info: SWITCHING ON           10
Info: SWITCHING OFF          12
Info: PAIRLIST DISTANCE      13.5
Info: PAIRLIST SHRINK RATE   0.01
Info: PAIRLIST GROW RATE     0.01
Info: PAIRLIST TRIGGER       0.3
Info: PAIRLISTS PER CYCLE    2
Info: PAIRLISTS ENABLED
Info: MARGIN                 0
Info: HYDROGEN GROUP CUTOFF  2.5
Info: PATCH DIMENSION        16
Info: ENERGY OUTPUT STEPS    100
Info: PRESSURE OUTPUT STEPS  100
Info: SPHERICAL BOUNDARY CONDITIONS ACTIVE
Info: RADIUS #1              26
Info: FORCE CONSTANT #1      10
Info: EXPONENT #1            2
Info: SPHERE BOUNDARY CENTER(12.4316, -2.22414, 15.281)
Info: LANGEVIN DYNAMICS ACTIVE
Info: LANGEVIN TEMPERATURE   310
Info: LANGEVIN DAMPING COEFFICIENT IS 5 INVERSE PS
Info: LANGEVIN DYNAMICS NOT APPLIED TO HYDROGENS
Info: VELOCITY REASSIGNMENT FREQ  5
Info: VELOCITY REASSIGNMENT TEMP  0
Info: VELOCITY REASSIGNMENT INCR  1
Info: VELOCITY REASSIGNMENT HOLD  310
Info: USING VERLET I (r-RESPA) MTS SCHEME.
Info: C1 SPLITTING OF LONG RANGE ELECTROSTATICS
Info: PLACING ATOMS IN PATCHES BY HYDROGEN GROUPS
Info: RIGID BONDS TO HYDROGEN : ALL
Info:         ERROR TOLERANCE : 1e-008
Info:          MAX ITERATIONS : 100
Info: RIGID WATER USING SETTLE ALGORITHM
Info: RANDOM NUMBER SEED     1392711435
Info: USE HYDROGEN BONDS?    NO
Info: COORDINATE PDB         ../common/Consensus_autopsf_ws.pdb
Info: STRUCTURE FILE         ../common/Consensus_autopsf_ws.psf
Info: PARAMETER file: CHARMM format! 
Info: PARAMETERS             ../common/par_all27_prot_lipid.inp
Info: USING ARITHMETIC MEAN TO COMBINE L-J SIGMA PARAMETERS
Info: SUMMARY OF PARAMETERS:
Info: 179 BONDS
Info: 441 ANGLES
Info: 534 DIHEDRAL
Info: 49 IMPROPER
Info: 89 VDW
Info: 0 VDW_PAIRS
Info: ****************************
Info: STRUCTURE SUMMARY:
Info: 140190 ATOMS
Info: 95945 BONDS
Info: 57545 ANGLES
Info: 19350 DIHEDRALS
Info: 1153 IMPROPERS
Info: 0 EXCLUSIONS
Info: 136591 RIGID BONDS
Info: 283979 DEGREES OF FREEDOM
Info: 47924 HYDROGEN GROUPS
Info: TOTAL MASS = 849748 amu
Info: TOTAL CHARGE = 2 e
Info: *****************************
BRACKET: 2.38382e-007 133866 -2.24072e+012 -2.23352e+012 -2.23705e+012 
Warning: Bad global exclusion count, possible error!
Warning: Increasing cutoff during minimization may avoid this.
PRESSURE: 200 0 0 0 0 0 0 0 0 0
GPRESSURE: 200 0 0 0 0 0 0 0 0 0
Info: Benchmark time: 1 CPUs 4.65438 s/step 53.8701 days/ns 0 kB memory
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP         TOTAL2         TOTAL3        TEMPAVG

ENERGY:     200    465001.6796     50117.3438      2378.4312      1962.0622        -507316.7550   1944377.6461  99999999.9999         0.0000         0.0000       99999999.9999         0.0000  99999999.9999  99999999.9999         0.0000

REINITIALIZING VELOCITIES AT STEP 200 TO 310 KELVIN.
TCL: Running for 500000 steps
REASSIGNING VELOCITIES AT STEP 200 TO 40 KELVIN.
ERROR: Constraint failure in RATTLE algorithm for atom 6790!
ERROR: Constraint failure; simulation has become unstable.
ERROR: Constraint failure in RATTLE algorithm for atom 4469!
ERROR: Constraint failure; simulation has become unstable.
ERROR: Constraint failure in RATTLE algorithm for atom 308!
ERROR: Constraint failure; simulation has become unstable.
ERROR: Constraint failure in RATTLE algorithm for atom 4377!
ERROR: Constraint failure; simulation has become unstable.
ERROR: Constraint failure in RATTLE algorithm for atom 4463!
ERROR: Constraint failure; simulation has become unstable.
ERROR: Constraint failure in RATTLE algorithm for atom 4790!
ERROR: Constraint failure; simulation has become unstable.
ERROR: Exiting prematurely.
==========================================
WallClock: 941.328003  CPUTime: 941.328003  Memory: 0 kB
Program finished.