[gmx-users] example: spc216.gro File
ysun at mie.utoronto.ca
ysun at mie.utoronto.ca
Mon Jul 21 23:23:00 CEST 2003
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
>
>
>
>
>
> XAvier
>
>
>
>
More information about the gromacs.org_gmx-users
mailing list