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On 26/02/2012 3:58 PM, dina dusti wrote:
<blockquote
cite="mid:1330232320.11303.YahooMailNeo@web121306.mail.ne1.yahoo.com"
type="cite">
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<div>Dear Gromacs Specialists,</div>
<div><br>
</div>
<div>My total time for simulation is 600000 ps (600 ns) because
I work with MARTINI coarse-grained force field and this time
is enough for my system,</div>
</div>
</blockquote>
<br>
Different observables converge over different time scales. The
autocorrelation time of potential energy in a fine-grained force
field is around 1ps, but that of the kinetic energy is very much
shorter. Atomic positions normally much longer.<br>
<br>
<blockquote
cite="mid:1330232320.11303.YahooMailNeo@web121306.mail.ne1.yahoo.com"
type="cite">
<div style="color: rgb(0, 0, 0); background-color: rgb(255, 255,
255); font-family: times new roman,new york,times,serif;
font-size: 12pt;">
<div> but when I do g_analyze -ee, I take this warning: <br>
</div>
<div><br>
</div>
<div>Warning: tau2 is longer than the length of the data
(864000)</div>
<div> the statistics might be bad</div>
<div><br>
</div>
<div>Should I increase the total time of simulation but this
time is enough?!</div>
</div>
</blockquote>
<br>
We don't have any information with which to judge - and ultimately
you will need to make this decision yourself.<br>
<br>
Mark<br>
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