Fw: [gmx-users] intermolecular rdfs for a bulky cation

[Jeevapani Ha]

> Hi, 
> 
> I need to calculate intermolecular rdfs b/w 
> P+14,6,6,6 cations.  The cation has three, 6
> carbon tails ,  a 14 carbon (long) tail and a Phosphorous at the
> center. 
> 
> I used nrexcl=21 in the .top file.
> 
> I believe this job needs a lot of memory and the job dies after
> some time.
> 
> 1) How can I calculate the intermolecular rdfs for this
> system?
> 
> 2) Is my nrexcl value wrong here?
> 
> 
> Thanks for your help
> Har
> 
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