lq z wrote:
Thanks, Justin. How to use "index groups"? Do I do it in .mdp file or
use some program in tools/?
Any group can be specified by name in the .mdp file, which then must correspond
to the desired group in an .ndx file (created by make_ndx). There are more
details in the manual and on the Gromacs website.
-Justin
--
========================================
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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