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:[EMAIL PROTECTED]>
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