[gmx-users] example: spc216.gro File

[ysun at mie.utoronto.ca]

Thank you - Xavier!



Quoting Xavier Periole <periole at inka.mssm.edu>:

> 1) Why the coordinates have been divided by 10  from those data of
> spc216.pdb?
> 
> in gromacs nanometers are used instead of the Angstrom 
> 10 A = 1nm
>   2) In the first row of spc216.gro,  What are the meanings of  WATJP01, WFVG
> ?
> 
> WATJP01: ??? 
> 
> WFVG : Wilfred Frederik Van Gusteren
> 
>   how to write this row?
> 
> by hand: it is just a reminder of the origin of the file and system I'd say
> 
>   3) In the last row of spc216.gro, what are the the meanings of 1.86206 
> 1.86206  1.86206 ?
> 
> those are the dimension of the box on X, Y and Z directions. In nanometers
> 
> 
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> 
> 
> XAvier
> 
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>