On 7/26/12 9:48 AM, niaz poorgholami wrote:
Dear Mark
thank you for your concern.when I tried the g_sgangle program
it gave me
Fatal error:
Something wrong with contents of index file.
the index file was the one I used during the simulation and I made that
with this command:
make_ndx -f em.gro -o index.ndx
and the groups for temperature couplig was
tc-grps = MOL_LIG Water_and_ions
it means that I coupled carbon nanotube(MOL) and surfacatnt(LIG) together.
I would be really pleased if you could help me.
The help information from g_sgangle -h (or the manual) should give you some
clues. The index groups chosen must be a multiple of 2 or 3 in size, given the
normal groups that are analyzed (water, with 3 atoms).
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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