Re: Re: [gmx-users] question

Raymond 3609746 at
Wed Nov 17 10:08:52 CET 2010

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 .  



发件人: Mark Abraham 
发送时间: 2010-11-17  16:27:39 
收件人: Discussion list for GROMACS users 
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


Probably because you did not measure what you thought you measured :-)

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