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On 17/11/2010 8:07 PM, Raymond wrote:
<blockquote cite="mid:201011171707246116269@sina.com" type="cite">
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<div><font face="Verdana" size="2">I built a system with 2 bulks
.left side is liquid side right is gas .</font></div>
<div><font face="Verdana" size="2">But the convergence of the rdf
only liquid I calculated is more than 1(about 1.3) .</font></div>
<div>I make a comparison with the Previously work I did (liquid
only without gas ) the trend is totally same but the convergence
is at 1.3</div>
<div> </div>
<div>I don't know what's wrong with it</div>
<div> </div>
<div>did the problem lie on the .mdp file(maybe the cutoff? my
cutoff is 1.9 and the X range of left bulk is 4,the right is 4
too ) or -RDF command or something other </div>
</blockquote>
<br>
Your description makes it very hard for anyone to help you - they
have to spend so much time organizing the information that they're
just going to walk away. In order to do science effectively, you
need to be methodical, and that has to show in your description of
what you've done, in order that other people can believe they can
actually help you. Also consider some of the points here
<a class="moz-txt-link-freetext" href="http://www.gromacs.org/Support/Mailing_Lists#Mailing_List_Etiquette">http://www.gromacs.org/Support/Mailing_Lists#Mailing_List_Etiquette</a>
and <a class="moz-txt-link-freetext" href="http://www.gromacs.org/Support">http://www.gromacs.org/Support</a> about constructing help requests.
:-) More information about your system preparation and simulation
protocol is required, and your g_rdf command lines are necessary :-)<br>
<br>
Mark<br>
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