[gmx-users] (no subject)
caterina merla
merla at die.uniroma1.it
Mon Apr 10 12:22:46 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
--
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>
More information about the gromacs.org_gmx-users
mailing list