Hi all,
I am trying to produce gro file from PDB file using editconf.
Here is the pdb file
HETATM 1 C 0.672 -0.000
0.000 C
HETATM 2 C -0.672 -0.000
0.000 C
HETATM 3 H 1.238 -0.928
0.000 H
HETATM 4 H 1.238 0.928
0.000 H
HETATM 5 H -1.238 -0.928
0.000 H
HETATM 6 H -1.238 0.928
0.000 H
Then I use: editconf -f X.pdb -o X.gro
But the go file seems no to be correct
6
0 C 1 0.067 -0.000 0.000
0 C 2 -0.067 -0.000 0.000
0 H 3 0.124 -0.093 0.000
0 H 4 0.124 0.093 0.000
0 H 5 -0.124 -0.093 0.000
0 H 6 -0.124 0.093 0.000
0.00000 0.00000 0.00000
Can anyone please help why this is happening?
Thank you!
--
Thanks,
J. N.
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