<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div><span>Dear Justin,</span></div><div><br><span></span></div><div><span>Thank you very much from your response.</span></div><div><br><span></span></div><div><span>Best Regards</span></div><div><span>Dina</span></div><div><br></div> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div dir="ltr"> <font size="2" face="Arial"> <hr size="1"> <b><span style="font-weight:bold;">From:</span></b> Justin A. Lemkul <jalemkul@vt.edu><br> <b><span style="font-weight: bold;">To:</span></b> dina dusti <dinadusti@yahoo.com>; Discussion list for GROMACS users <gmx-users@gromacs.org> <br> <b><span style="font-weight: bold;">Sent:</span></b> Wednesday, May 9, 2012 4:52 AM<br> <b><span style="font-weight:
bold;">Subject:</span></b> Re: [gmx-users] radius of gyration<br> </font> </div> <br>
<br><br>On 5/8/12 4:50 PM, dina dusti wrote:<br>> Dear Justin,<br>> <br>> Thank you very much from your help, but may I ask you to say me why the error<br>> estimate of Rg is very smaller than Rgx, Rgy, Rgz, Please? I didn't understand<br>> any thing from paper about this problem!<br>> <br><br>The value of Rg is calculated from the (x,y,z) components of the molecule's size, which, since the molecule is tumbling through solution, vary quite a bit. Diffusion in three dimensions doesn't necessarily impact the size of the molecule directly and hence the value of Rg is not affected as strongly.<br><br>For a more exact description of how things are calculated, you'd have to go through the code for a real mathematical proof.<br><br>-Justin<br><br>-- ========================================<br><br>Justin A. Lemkul<br>Ph.D. Candidate<br>ICTAS Doctoral Scholar<br>MILES-IGERT Trainee<br>Department of Biochemistry<br>Virginia
Tech<br>Blacksburg, VA<br>jalemkul[at]<a target="_blank" href="http://vt.edu">vt.edu</a> | (540) 231-9080<br>http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin<br><br>========================================<br><br><br> </div> </div> </div></body></html>