<html><body><div style="color:#000; background-color:#fff; font-family:arial, helvetica, sans-serif;font-size:12pt"><div><span>Dear Justin</span></div><div><span>Many Thanks. The correspondence between statistical mechanics and simulation results is beautiful :)</span></div><div><br></div> <div style="font-family: arial, helvetica, sans-serif; font-size: 12pt;"> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div dir="ltr"> <font face="Arial" size="2"> <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> delara aghaie <d_aghaie@yahoo.com>; Discussion list for GROMACS users <gmx-users@gromacs.org> <br> <b><span style="font-weight: bold;">Sent:</span></b> Saturday, 16 June 2012, 18:12<br> <b><span style="font-weight: bold;">Subject:</span></b> Re: [gmx-users] pressure-lyzozyme tutorial<br> </font>
</div> <br><br><br>On 6/16/12 9:40 AM, delara aghaie wrote:<br>> Dear Gromacs users<br>><br>> 1)) I want to know a way to have running averages on plots. I usually draw my<br>> plots using gnuplot.<br>> In Lyzozyme tutorial, we see a graph for pressure. ( I want to have something<br>> like that)<br>><br><br>I used XmGrace for that plot, as well as everything else I do, so I can't <br>comment on this question.<br><br>> 2)) in that tutorial, The average press is about 1 bar, but the fluctuations of<br>> the pressure reach 200 and -200 bar. Is it correct to say the pressure is 1 bar,<br>> when we see these great fluctuations?...<br>><br><br>Please read <a href="http://www.gromacs.org/Documentation/Terminology/Pressure" target="_blank">http://www.gromacs.org/Documentation/Terminology/Pressure</a>.<br><br>-Justin<br><br>-- <br>========================================<br><br>Justin A. Lemkul, Ph.D.<br>Research
Scientist<br>Department of Biochemistry<br>Virginia Tech<br>Blacksburg, VA<br>jalemkul[at]vt.edu | (540) 231-9080<br><a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target="_blank">http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin</a><br><br>========================================<br><br><br><br><br> </div> </div> </div></body></html>