Elisabeth wrote:
Dear gromacs users,
I am planning to produce C-C rdf for my system and I have difficulty
making the index file with a group of all C in the system, [Carbon] .
.If there are thousands of atoms in the system do I have to go through
the top file and note down C atom numbers and use those numbers to make
a group in the index file? What is the easiest way of doing this using
make_ndx features..
Using "a C*" at the make_ndx prompt should accomplish what you want. Type
"help" at the prompt for more advanced examples.
-Justin
Thank you for your hints..
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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