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Hello,<br><br>So a I can either increase my system size or do some post precessing-smoothing...<br><br>Thanks for the ideas<br>Antonia<br><br>> Date: Tue, 24 Mar 2009 11:39:19 +1100<br>> From: Dallas.Warren@pharm.monash.edu.au<br>> Subject: RE: [gmx-users] (no subject) - fluctuations<br>> To: gmx-users@gromacs.org<br>> <br>> > > Is there a way to reduce the fluctuations of the properties <br>> > calculated <br>> > > with g_energy?<br>> <br>> > Fluctuations scale as 1/sqrt(N) where N is the number of <br>> > molecules. So <br>> > the answer is yes.<br>> <br>> Depending on what you actually want to do, some smoothing of the data<br>> may be what you are after. One way of doing this is taking some points<br>> before and after a time, then averaging them all together.<br>> <br>> Catch ya,<br>> <br>> Dr. Dallas Warren<br>> Department of Pharmaceutical Biology and Pharmacology<br>> Pharmacy and Pharmaceutical Sciences, Monash University<br>> 381 Royal Parade, Parkville VIC 3010<br>> dallas.warren@pharm.monash.edu.au<br>> +61 3 9903 9167<br>> ---------------------------------<br>> When the only tool you own is a hammer, every problem begins to resemble<br>> a nail. <br>> _______________________________________________<br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://www.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at http://www.gromacs.org/search before posting!<br>> Please don't post (un)subscribe requests to the list. Use the <br>> www interface or send it to gmx-users-request@gromacs.org.<br>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php<br><br /><hr />Get news, entertainment and everything you care about at Live.com. <a href='http://www.live.com/getstarted.aspx ' target='_new'>Check it out!</a></body>
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