[gmx-users] how to generate a molecular static field

[nanyu101 at sina.com]

Dear gmx-users,

   I have tried to calculate a molecular electrostatic field. I have done by  g_potential_d.

g_potential_d -f ion-no.xtc -n ion.ndx -s ion-no.tpr -of no.xvg

I have checked the out.xvg that I found the electrostatic field is very large. Would you please what the wrong is?

out.xvy
# which is part of G R O M A C S:
# GROwing Monsters And Cloning Shrimps
# All this happened at: Sat Apr  3 02:09:31 2004
#
@    title "Electric Field"
@    xaxis  label "Box (nm)"
@    yaxis  label "Field (V/nm)"
@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 "PHB"
           0                0
    0.949599                0
      1.8992      7.21774e+07
      2.8488      1.30776e+08
      3.7984       7.0439e+07
     4.74799      6.25617e+07
     5.69759      2.55452e+08
     6.64719      2.04729e+08
     7.59679         -2147.96
     8.54639         -2147.96

Thanks a lot.
Best wishes,
nanyu
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