I'm very sorry that last Email was just a test ~~~ I don't know how to use this . here is my problem ~~ Thanks very much
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 . 2010-11-17 Raymond 发件人： Mark Abraham 发送时间： 2010-11-17 16:27:39 收件人： Discussion list for GROMACS users 抄送： 主题： Re: [gmx-users] question On 17/11/2010 5:52 PM, Raymond wrote: Why my rdf is larger than 1 in the long range 2010-11-17 Raymond Probably because you did not measure what you thought you measured :-) Mark
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