Turtle Nedasing wrote:
Hi , please answer my questions
1- for performed (MD) simulation to study adsorption gas on silicon
nanotube ,I used from g_rdf and trjorder programs ,how I can measure
adsorption coverage (number of adsorbed gas)on surface of the nanotube ?
Using g_dist -dist might be a start, defining some appropriate cutoff with the
-dist option.
2-while running g_msd program ,in the option selected groups ,which one
must select :1-silicon nanotube or 2-gas molecules
Well, which one do you want the diffusion constant for?
-Justin
Thank you for attention
--
========================================
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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