[gmx-users] example: spc216.gro File

[Albert Sun]

Dear Gmx-users,

I would appreciate if you could clarify for me on the spc216.gro file in/share/tutor/water:

1) Why the coordinates have been divided by 10  from those data of spc216.pdb?

2) In the first row of spc216.gro,  What are the meanings of  WATJP01, WFVG ?

how to write this row?

3) In the last row of spc216.gro, what are the the meanings of 1.86206  1.86206  1.86206 ?

Great Thanks!

 

Albert 

 

 

 



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