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Dear all,<br><br>I am simulating a binary system of two non mixing components (5CB and water using version 4-0-3; the whole equilibrated trajectory is about 300ns). <br>I want to calculate the rdf of the centers of mass of 5CB using the command <br>g_rdf -f traj300.xtc -rdf mol_com -o rdf_com_300.xvg -noxvgr.<br>The problem is that the rdf I am getting does not approach one at long distances. Is there a way to correct that? <br>I have the same problem, with all rdfs, and also when I compute the rdfs for a lipid bilayer (DPPC-water)... I think it has to do with the way that the normalization is done, <br>because the ones that are calculated for a one component system (i.e. bulk 5CB) are normal (they do approach one). <br><br>Thank you,<br>Antonia<br> <br><hr>Hotmail: Trusted email with Microsoft’s powerful SPAM protection. <a href="https://signup.live.com/signup.aspx?id=60969">Sign up now.</a> <br /><hr />Hotmail: Powerful Free email with security by Microsoft. <a href='https://signup.live.com/signup.aspx?id=60969' target='_new'>Get it now.</a></body>
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