[gmx-users] g_dielectric error

[Cyrus Djahedi]

Hey everyone. Im looking to run g_dielectric on my total dipole moment ACF (dipcorr.xvg) by:

g_dielectric -f dipcorr.xvg

I get the following error message. Does anyone know what parameter they are referring to?

WARNING: non-polarizable models can never yield an infinite
dielectric constant that is different from 1. This is incorrect
in the reference given above (Spoel98a).

Read data set containing 2 colums and 5001 rows
Assuming (from data) that timestep is 1, nxtail = 500
Creating standard deviation numbers ...
nbegin = 5, x[nbegin] = 5, tbegin = 5
Step       chi^2      Lambda          A1          A2          A3         A4
   0  1.04737e+10  1.00000e-02  0.00000e+00
   1  1.04737e+10  1.00000e-01  0.00000e+00
   2  1.04737e+10  1.00000e+00  0.00000e+00
   3  1.04737e+10  1.00000e+01  0.00000e+00
   4  1.04737e+10  1.00000e+02  0.00000e+00
   5  1.04737e+10  1.00000e+03  0.00000e+00
   6  1.04737e+10  1.00000e+04  0.00000e+00
   7  1.04737e+10  1.00000e+05  0.00000e+00
   8  1.04737e+10  1.00000e+06  0.00000e+00
   9  1.04737e+10  1.00000e+07  0.00000e+00
  10  1.04737e+10  1.00000e+08  0.00000e+00
  11  1.04737e+10  1.00000e+09  0.00000e+00
  12  1.04737e+10  1.00000e+10  0.00000e+00
  13  1.04737e+10  1.00000e+11  0.00000e+00
  14  1.04737e+10  1.00000e+12  0.00000e+00
  15  1.04737e+10  1.00000e+13  0.00000e+00
  16  1.04737e+10  1.00000e+14  0.00000e+00
  17  1.04737e+10  1.00000e+15  0.00000e+00
  18  1.04737e+10  1.00000e+16  0.00000e+00
  19  1.04737e+10  1.00000e+17  0.00000e+00
  20  1.04737e+10  1.00000e+18  0.00000e+00
  21  1.04737e+10  1.00000e+19  0.00000e+00
  22  1.04737e+10  1.00000e+20  0.00000e+00
  23  1.04737e+10  1.00000e+21  0.00000e+00
  24  1.04737e+10  1.00000e+22  0.00000e+00
  25  1.04737e+10  1.00000e+23  0.00000e+00
  26  1.04737e+10  1.00000e+24  0.00000e+00
  27  1.04737e+10  1.00000e+25  0.00000e+00
  28  1.04737e+10  1.00000e+26  0.00000e+00
  29  1.04737e+10  1.00000e+27  0.00000e+00
  30  1.04737e+10  1.00000e+28  0.00000e+00
  31  1.04737e+10  1.00000e+29  0.00000e+00
  32  1.04737e+10  1.00000e+30  0.00000e+00
  33  1.04737e+10  1.00000e+31  0.00000e+00
  34  1.04737e+10  1.00000e+32  0.00000e+00
  35  1.04737e+10  1.00000e+33  0.00000e+00
  36  1.04737e+10  1.00000e+34  0.00000e+00
  37  1.04737e+10  1.00000e+35  0.00000e+00
  38  1.04737e+10  1.00000e+36  0.00000e+00
  39  1.04737e+10  1.00000e+37  0.00000e+00
  40  1.04737e+10  1.00000e+38  0.00000e+00
  41  1.04737e+10         inf  0.00000e+00
  42  1.04737e+10         inf  0.00000e+00
  43  1.04737e+10         inf  0.00000e+00
  44  1.04737e+10         inf  0.00000e+00
  45  1.04737e+10         inf  0.00000e+00
  46  1.04737e+10         inf  0.00000e+00
  47  1.04737e+10         inf  0.00000e+00
  48  1.04737e+10         inf  0.00000e+00
  49  1.04737e+10         inf  0.00000e+00


-------------------------------------------------------
Program g_dielectric, VERSION 4.6.1
Source code file: /home/cyrusdja/Downloads/gromacs-4.6.1/src/tools/expfit.c, line: 570

Fatal error:
nparm = 0 in file /home/cyrusdja/Downloads/gromacs-4.6.1/src/tools/expfit.c, line 571
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors