[gmx-users] Ngmx

Mark Abraham Mark.Abraham at anu.edu.au
Thu May 11 15:27:08 CEST 2006

karamyog singh wrote:
> Respected gentlemen, I have written another code for simulating atomic 
> oxygen. the code is running fine. however when i view my run using ngmx, 
> the entire box doesn't get filled up.It just shows one plane of atoms. I 
> have a box of 27 atoms but ngmx shows only 9. Can any1 tell me why and 
> the solution to this problem.

>  27MY   OX   27  0.000000   0.250000  0.500000 ; 0.000 0.000 0.000
> 0.5 0.5 0.5

Your box is of size 0.5x0.5x0.5, so atom 27 overlays exactly with some 
other atom at 0,0.25,0... evidently you are doing this with all of your 


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