[gmx-users] g_helix question
zhen at hec.utah.edu
Wed Jun 1 20:23:36 CEST 2005
I met a problem when trying to analyse my system with g_helix function.
My system contains a protein (belta-helix), some membrane lipid molecules,
and a lot of water. I want to use g_helix to compute the helix properties,
so I use:
g_helix -f history.xtc -s system.tpr -n index.ndx
(my index.ndx contains atoms that form the helix).
However, after I ran, I found all the .xvg files excepting
JCaHa.xvg and helicity.xvg generated contains only
the informatic head, no data at all. And in helicity.xvg, the data part is
and all the .out files are empty.
This is my first time to use g_helix, I am totally confused. Are my input
files wrong? What shall I do?
Thank you very much.
(o o) "Theory is when you
-=-=-=-=-=-=-=-=-oOOo-(_)-oOOo-=-=-=-=-=-=-=- know everything, but
/ !!!! \ nothing works...
| !!!!!!!! Zhen Qin | Practice is when
|!!!!!!!!!!! O_O Department of Chemistry | everything works, but
|!!! !!!!!!! /@ @\ Center for Biophysical | no one knows why...
| !!!!!! \ x / Moldeling and Simulation | My research is a good
| !!!!!!/ m !m University of Utah | combination of theory
| !!!!/ __ | | and practice: nothing
| !!!!|/ \__ email:zhen at hec.utah.edu | works and no one knows
\________!!!\______\___________________________/ why... "
More information about the gromacs.org_gmx-users