[gmx-users] Problem with RDF values

Ali Alizadeh ali.alizadehmojarad at gmail.com
Sun Feb 10 18:22:44 CET 2013

Dear All users

I am simulating decane molecules( NPT ensemble, 60 chain(C10H22) , 420
k and 1 bar, united atom opls : Ch2 and Ch3),

When I am representing g(r) ch2-ch2 , ch3-ch2 , ch3-ch3, (before, I
make an index file that include all of the ch2 in a group and all of
th ch3 in another group)

I am taking wrong results(I think) because The peaks in my figure rise
up(to 100!) and then collapse to less than 5 ...


Ali Alizadeh

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