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<span class="Apple-style-span" style="font-family: Tahoma, Verdana, Arial, sans-serif; color: rgb(68, 68, 68); "><div><div>Dear gromacs users </div><div><br></div><div>I make a MD of 20 ns of a solute in water</div><div><br></div><div>With the g_msd program the msd vs the time was obtained </div><div><br></div><div>In the plot, I observed a linear behaviour of the MSD from 0 to 15 ns and a plateau with no linear tendence at the last 5 ns arpoximately.</div><div><br></div><div>In order to know if the observed plateau was due to the data or is due to the way as the algorithm process the data, I divided the MD in two trajectories and obtained the msd for each one.</div><div><br></div><div>From 0-10ns, the plot observed shows a linear tendence en the begining and a plateau with no linear tendence from 9 to 10 ns.</div><div>From 10-20 ns the plot observed was linear from 10 to 18 ns and not linear at the last, the same plateau was observed.</div><div><br></div><div>Comparing the plots there are not equivalent,.</div><div><br></div><div>Why g_msd produces a non linear plot at the last of the calculation and the plateau is ever produces.</div><div><br></div><div>Somebody will explain the way as the g_msd algorithm work? and why the plot are no equivalent or why there must be equivalent?</div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div>Regards</div></div><div><br></div><div>Ricardo Cuya</div></span><br><div><br></div><br> <br /><hr />Courez la chance de voir la photo de votre coin de pays sur Bing.ca <a href='http://go.microsoft.com/?linkid=9734389' target='_new'>Soumettez une photo maintenant! </a></body>
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