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<br><br>> Date: Fri, 18 Sep 2009 16:24:21 +1000<br>> From: Mark.Abraham@anu.edu.au<br>> To: gmx-users@gromacs.org<br>> Subject: Re: [gmx-users] Can Gromacs produce the data from NMR?<br>> <br>> Chih-Ying Lin wrote:<br>> > <br>> > <br>> > HI<br>> > Can Gromacs produce the data from NMR?<br>> <br>> No, if my guess at what "data" you mean is right. Why don't you ask a <br>> full question? :-)<br>> <br>> Mark<br><br>I don't think that is a correct answer.<br>I would say MD will never produce data from NMR.<br>But Gromacs can calculate several quantities that one can<br>measure with NMR (but spectra is not one of them).<br><br>Berk<br><br> <br /><hr />Express yourself instantly with MSN Messenger! <a href='http://clk.atdmt.com/AVE/go/onm00200471ave/direct/01/' target='_new'>MSN Messenger</a></body>
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