[gmx-users] still g_order problem!

[Rongliang Wu]

Hello gmx-users,

	i have made a index file of carbon atoms as follows:
[ CAE ]
   5   15   25   35   45   55   65   75   85   95  105  115  125  135  145 
 155  165  175  185  195  205  215  225  235  245  255  265  275  285  295 
 305  315  325  335  345  355  365  375  385  395  405  415  425  435  445 
 455  465  475  485  495  505  515  525  535  545  555  565  575  585  595 
 605  615  625  635  645  655  665  675  685  695  705  715  725  735  745 
 755  765  775  785  795  805  815  825  835  845  855  865  875  885  895 
 905  915  925  935  945  955  965  975  985  995 

and used the command "g_order -f traj.trr -s dwmd.tpr -szonly -n -sl 8" to calculate the order parameters of atoms in the index file, but the results are all 0 for each slices. but the system was apparently not amorphous. are there any possible mistakes for my procedure.


yes,the order parameters calculated in the previous method are average over time and molecules.the order parameters can also be calculated (and are all 0 for each slices) if i put all carbon atoms in the index file. what this order parameter  will be? average over atoms?  

Thanks!

Regards!
                    
Sincerely,

Rongliang Wu
State Key Laboratory
of Polymer Physics and Chemistry
Center of Molecular Science
Institute of Chemistry
Chinese Academy of Sciences
 				

　　　　　　　　　　wurl04 at iccas.ac.cn
　　　　　　　　　　2006-02-07