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Hi,<br>I have tried to simulate a crystal in water solvent, however I<br>found the error:<br><br>ERROR 0 [file "new-topol3.top", line 19]:<br> Trying to add LJ (SR) while the default nonbond type is Buck.ham (SR)<br><br>So, my question: How can I use or define LJ potential (for water) and<br>buckingham potential (for a crystal) in the same *.top, *.itp?<br><br>Thanks,<br><br>Osmair V. Oliveira<br>Ph.D. Student<br>Brazil<br><br /><hr />Turbine seu Messenger com emoticons! <a href='http://specials.br.msn.com/ilovemessenger/pacotes.aspx' target='_new'>Clique já, é GRÁTIS!</a></body>
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