[gmx-users] potential across surface

[David van der Spoel]

I have tried to reproduce it, but cannot, see attached potential.xvg (a 3 
nm water slab in a 3x3x9 box.
My command line:
g_potential -f traj.xtc -s topol.tpr -n index -sl 100 -b 200
The index file contains one group with all atoms.

This is in the CVS version of the code, but I don't think the code has 
been changed recently.

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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-------------- next part --------------
# This file was created by g_potential
# which is part of G R O M A C S:
# GROwing Monsters And Cloning Shrimps
# All this happened at: Fri Aug  6 14:56:34 2004
#
@    title "Electrostatic Potential"
@    xaxis  label "Box (nm)"
@    yaxis  label "Potential (V)"
@TYPE xy
@ view 0.15, 0.15, 0.75, 0.85
@ legend on
@ legend box on
@ legend loctype view
@ legend 0.78, 0.8
@ legend length 2
@ s0 legend "System"
           0               -0
   0.0930057     -4.55181e-06
    0.186011     -9.10363e-06
    0.279017      6.32814e-14
    0.372023      1.36554e-05
    0.465028      1.36554e-05
    0.558034      4.55182e-06
     0.65104      9.10363e-06
    0.744046      1.82073e-05
    0.837051      9.10363e-06
    0.930057      4.53389e-14
     1.02306      4.55181e-06
     1.11607      9.10363e-06
     1.20907      9.10363e-06
     1.30208      1.36554e-05
     1.39509      1.36554e-05
     1.48809      4.55181e-06
      1.5811      9.10363e-06
      1.6741      2.27591e-05
     1.76711      1.82073e-05
     1.86011      9.10363e-06
     1.95312      1.82073e-05
     2.04613      3.18627e-05
     2.13913      3.18627e-05
     2.23214      1.36555e-05
     2.32514     -3.64145e-05
     2.41815      -0.00020028
     2.51115      -0.00123809
     2.60416      -0.00685045
     2.69717       -0.0272977
     2.79017       -0.0815086
     2.88318         -0.18359
     2.97618        -0.318343
     3.06919        -0.442874
     3.16219        -0.514376
      3.2552        -0.525635
     3.34821        -0.515638
     3.44121         -0.51054
     3.53422        -0.503532
     3.62722         -0.49591
     3.72023        -0.488615
     3.81323        -0.485489
     3.90624         -0.49303
     3.99924        -0.500104
     4.09225        -0.502368
     4.18526        -0.508131
     4.27826        -0.511772
     4.37127         -0.50902
     4.46427        -0.509403
     4.55728        -0.512627
     4.65028        -0.516977
     4.74329        -0.521902
      4.8363        -0.521345
      4.9293        -0.519555
     5.02231          -0.5187
     5.11531        -0.516819
     5.20832        -0.520311
     5.30132        -0.524522
     5.39433        -0.520378
     5.48734        -0.514784
     5.58034        -0.518007
     5.67335        -0.525364
     5.76635        -0.537016
     5.85936        -0.551045
     5.95236        -0.547884
     6.04537        -0.507083
     6.13838        -0.408949
     6.23138         -0.27229
     6.32439        -0.148371
     6.41739       -0.0672955
      6.5104        -0.028826
      6.6034       -0.0161712
     6.69641        -0.013617
     6.78942       -0.0136528
     6.88242       -0.0142621
     6.97543       -0.0149716
     7.06843       -0.0156855
     7.16144       -0.0163904
     7.25444       -0.0170908
     7.34745       -0.0178002
     7.44046       -0.0185142
     7.53346       -0.0192328
     7.62647       -0.0199559
     7.71947        -0.020679
     7.81248       -0.0214021
     7.90548       -0.0221297
     7.99849       -0.0228574
      8.0915       -0.0235714
      8.1845       -0.0242808
     8.27751        -0.025004
     8.37051       -0.0257362
     8.46352       -0.0264593
     8.55652       -0.0271733
     8.64953       -0.0278918
     8.74254       -0.0286104
     8.83554       -0.0293198
     8.92855       -0.0300293
     9.02155       -0.0307433
     9.11456       -0.0314573
     9.20756       -0.0321713