[gmx-users] number of adsorbed gas+silicon nanotube
turtle61500 at yahoo.com
Mon Feb 15 19:58:05 CET 2010
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 ?
2-while running g_msd program ,in
the option selected groups ,which one must select :1-silicon nanotube or 2-gas molecules
Thank you for attention
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