debug: Input string:
read
 mol pqr ion.pqr
end

elec name elec
mg-manual
dime 33 33 33
grid 0.500 0.500 0.500
# nlev 4
gcent mol 1
ion charge 1.000 conc 0.150 radius 2.000
ion charge -1.000 conc 0.150 radius 2.000
pdie 2.000 
sdie 78.540
srad 1.400
swin 0.300
temp 298.150
sdens 10.000
mol 1
chgm spl2
lpbe
bcfl sdh
srfm spl2
calcenergy total
calcforce total
end

apolar name npolar
bconc 0.0
press 0.0
dpos 0.2
mol 1
srfm sacc
grid 0.2 0.2 0.2
gamma 0.105
srad 1.400
swin 0.300
temp 298.150
sdens 10.000
calcenergy total
calcforce comps
end


quit

Parsed input string.
Preparing to run 2 PBE calculations.
----------------------------------------
CALCULATION #1 (elec): MULTIGRID
  Setting up problem...
  Using cubic spline charge discretization.
  Grid dimensions: 33 x 33 x 33
  Grid spacings: 0.500 x 0.500 x 0.500
  Grid lengths: 16.000 x 16.000 x 16.000
  Grid center: (4.681, 3.930, -0.620)
  Multigrid levels: 4
  Molecule ID: 1
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.150 M ionic strength):
    2.000 A-radius, 1.000 e-charge, 0.150 M concentration
    2.000 A-radius, -1.000 e-charge, 0.150 M concentration
  Solute dielectric: 2.000
  Solvent dielectric: 78.540
  Using spline-based surface definition;window = 0.300
  Temperature:  298.150 K
  Electrostatic energies will be calculated
  Net solvent forces will be calculated 
----------------------------------------
CALCULATION #2 (npolar): APOLAR
----------------------------------------
Final memory usage:  0.001 MB total, 8.547 MB high water
Reading parameter file apbs-forces-tot.in                                                              
 Reading PQR file ...
Mol. dimensions:    6.386   4.868   5.895
 Grid dime not specified, calculating ...
 Grid values: 
fglen:   26.386  24.868  25.895
cglen:   26.386  24.868  25.895
dime:   33  33  33
grid:    0.500   0.500   0.500
Required memory (in MB):      6.854
 PQR file (x, y, z, charge, radius):
   1   3.555   3.970  -0.000  -0.416   1.824
   2   2.733   4.556  -0.000   0.272   0.600
   3   4.853   4.614  -0.000   0.034   1.908
   4   5.408   4.316   0.890   0.082   1.387
   5   5.661   4.221  -1.232  -0.182   1.908
   6   5.123   4.521  -2.131   0.060   1.487
   7   6.630   4.719  -1.206   0.060   1.487
   8   5.809   3.141  -1.241   0.060   1.487
 i_param:
calc_type   0
nlev   4
cmeth   1
ccmeth   1
fcmeth   1
chgm   1
nonlin   0
bcfl   1
srfm   2
calcenergy   1
calcforce   1
wpot   0
wchg   0
wsmol   0
wkappa   0
wdiel   0
watompot   0
rpot   0
0   0
calcnpforce   2
calcnpenergy   1
nion   2
rchg   0
rkappa   0
rdiel   0
 r_param:
pdie   2.000
 main.f: apbs return code:            0
esenergy (kJ/mol):   150.87575187
npenergy (kJ/mol):    22.80602401
esenergy (kcal/mol):    36.06017001
npenergy (kcal/mol):     5.45077054
 main: Total force on molecule kJ/(mol/A)
qf    -58.07701165   40.45922947   57.50773299
ib      0.00014582    0.00025737   -0.00002647
db      9.74780014   -2.44894324   -1.03462148
pol   -48.32906569   38.01054360   56.47308504
apol   43.94102579   24.67825906  -15.48817878
tot    -4.38803990   62.68880266   40.98490626
