[gmx-users] rdf wrong convergence

Raymond 3609746 at sina.com
Wed Nov 17 10:07:25 CET 2010

I built a system with 2 bulks .left side is liquid side  right is gas .
But the convergence of the rdf only liquid I calculated is more than 1(about 1.3) .
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

I don't know  what's wrong with it

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 

Thanks very much for giving me advice .  


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