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Hi,<br>I have minimized four nanoparticle (with 0.5 nm of distance)<br>using the oplsaa force field, but the output (*.edr) shows that<br>the interactions (Coul-SR and LJ-SR) between the nanoparticles are zero,<br>as example:<br> Coul-SR:1CeO-1CeO 5.84835e+04 5.43362e+09 4.45364e+06<br> LJ-SR:1CeO-1CeO 2.26278e+00 2.10345e+05 -1.26800e+02<br> Coul-SR:1CeO-2CeO 0.00000e+00 0.00000e+00 0.00000e+00<br> LJ-SR:1CeO-2CeO 0.00000e+00 0.00000e+00 0.00000e+00<br> Coul-SR:1CeO-3CeO 0.00000e+00 0.00000e+00 0.00000e+00<br> LJ-SR:1CeO-3CeO 0.00000e+00 0.00000e+00 0.00000e+00<br> Coul-SR:1CeO-4CeO 0.00000e+00 0.00000e+00 0.00000e+00<br> LJ-SR:1CeO-4CeO 0.00000e+00 0.00000e+00 0.00000e+00<br> .......<br><br>In my *.mdp file, I have defined:<br>energygrps = 1CeO 2CeO 3CeO 4CeO<br><br>Someone can help me?<br><br>Thanks<br><br>Ph.D. Osmair V. Oliveira<br>Federal University of Sao Carlos - Brazil<br><br /><hr />Quer uma internet mais segura? <a href='http://brasil.microsoft.com.br/IE8/mergulhe/?utm_source=MSN%3BHotmail&utm_medium=Tagline&utm_campaign=IE8' target='_new'>Baixe agora o novo Internet Explorer 8. É grátis!</a></body>
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