[gmx-users] (no subject)

caterina merla merla at die.uniroma1.it
Mon Apr 10 12:32:06 CEST 2006

  Hallo to all
I try to use the function g_dielectric but it does not work , before 
I use the function g_dipoles to create the ACF of the all system it 
is the dipcorr.xvg and I put it as the input  file for the 
g_dielectric  but I obtained a message of error, I 'd like to know 
which is the correct file format or input file that I have to give to 
the g_dielectric to get results. (I try with the exmple of methanol 
and peptide in the gromacs share directory).
Thank you Caterina

this is the type of the error that I obtained.

Read data set containing 5 colums and 201 rows
Assuming (from data) that timestep is 0.1, nxtail = 201
nbegin = 50, x[nbegin] = 5, tbegin = 5
Step       chi^2      Lambda          A1          A2          A3
    0  1.01577e+18  1.00000e-02  3.60739e-313
    1  1.01577e+18  1.00000e-01  3.60739e-313
    2  1.01577e+18  1.00000e+00  3.60739e-313
    3  1.01577e+18  1.00000e+01  3.60739e-313
    4  1.01577e+18  1.00000e+02  3.60739e-313
    5  1.01577e+18  1.00000e+03  3.60739e-313
    6  1.01577e+18  1.00000e+04  3.60739e-313
    7  1.01577e+18  1.00000e+05  3.60739e-313
    8  1.01577e+18  1.00000e+06  3.60739e-313
    9  1.01577e+18  1.00000e+07  3.60739e-313
   10  1.01577e+18  1.00000e+08  3.60739e-313
   11  1.01577e+18  1.00000e+09  3.60739e-313
   12  1.01577e+18  1.00000e+10  3.60739e-313
   13  1.01577e+18  1.00000e+11  3.60739e-313
   14  1.01577e+18  1.00000e+12  3.60739e-313
   15  1.01577e+18  1.00000e+13  3.60739e-313
   16  1.01577e+18  1.00000e+14  3.60739e-313
   17  1.01577e+18  1.00000e+15  3.60739e-313
   18  1.01577e+18  1.00000e+16  3.60739e-313
   19  1.01577e+18  1.00000e+17  3.60739e-313
   20  1.01577e+18  1.00000e+18  3.60739e-313
   21  1.01577e+18  1.00000e+19  3.60739e-313
   22  1.01577e+18  1.00000e+20  3.60739e-313
   23  1.01577e+18  1.00000e+21  3.60739e-313
   24  1.01577e+18  1.00000e+22  3.60739e-313
   25  1.01577e+18  1.00000e+23  3.60739e-313
   26  1.01577e+18  1.00000e+24  3.60739e-313
   27  1.01577e+18  1.00000e+25  3.60739e-313
   28  1.01577e+18  1.00000e+26  3.60739e-313
   29  1.01577e+18  1.00000e+27  3.60739e-313
   30  1.01577e+18  1.00000e+28  3.60739e-313
   31  1.01577e+18  1.00000e+29  3.60739e-313
   32  1.01577e+18  1.00000e+30  3.60739e-313
   33  1.01577e+18  1.00000e+31  3.60739e-313
   34  1.01577e+18  1.00000e+32  3.60739e-313
   35  1.01577e+18  1.00000e+33  3.60739e-313
   36  1.01577e+18  1.00000e+34  3.60739e-313
   37  1.01577e+18  1.00000e+35  3.60739e-313
   38  1.01577e+18  1.00000e+36  3.60739e-313
   39  1.01577e+18  1.00000e+37  3.60739e-313
   40  1.01577e+18  1.00000e+38  3.60739e-313
   41  1.01577e+18  1.00000e+39  3.60739e-313
   42  1.01577e+18  1.00000e+40  3.60739e-313
   43  1.01577e+18  1.00000e+41  3.60739e-313
   44  1.01577e+18  1.00000e+42  3.60739e-313
   45  1.01577e+18  1.00000e+43  3.60739e-313
   46  1.01577e+18  1.00000e+44  3.60739e-313
   47  1.01577e+18  1.00000e+45  3.60739e-313
   48  1.01577e+18  1.00000e+46  3.60739e-313
   49  1.01577e+18  1.00000e+47  3.60739e-313

Fatal error: nparm = 0 in file expfit.c, line 462
Caterina Merla
Ph.D. Student
Department of Electronic Engineering
University of Rome "La Sapienza"
Via Eudossiana 18,
00184 Roma, ITALY
Phone: +39 06 4820272
Fax: +39 06 4742647
E-mail: <mailto:merla at die.uniroma1.it>

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