[gmx-users] example: spc216.gro File
periole at inka.mssm.edu
Mon Jul 21 22:42:01 CEST 2003
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 ?
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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