caterina merla wrote:
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
please submit a bugzilla and upload the ACF and the command line to
reproduce the problem.
--
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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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