[gmx-users] Problem with RDF values

[Ali Alizadeh]

Dear All users

I am reproducing the results of a paper and simulating decane
molecules( NPT ensemble, 60 chain(C10H22) , 420

 k and 1 bar, united atom opls : Ch2 and Ch3,  xyz : pbc),

 When I represent  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
 the ch3 in another group)

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

How can I solve it?

 --
 Sincerely

 Ali Alizadeh



-- 
Sincerely

Ali Alizadeh
University of Tehran
College of engineering(Fanni)
Department of chemical engineering
IPE (Institute of Petroleum Engineering)
M.Sc Candidate, class of 2013
B.Sc Graduate 2011(University of Tehran,Fanni)