On 19/09/2012 11:22 PM, Ali Alizadeh wrote:
Dear Justin
I prepare a .top file with a combination of input #include and pdb2gmx,
How can i generate a .gro file from this .top file?
You can't - they have radically different kinds of information. Also,
see
http://www.gromacs.org/Documentation/File_Formats/Coordinate_File#On_the_need_for_a_.gro_file.
pdb2gmx wrote a coordinate file that matches its .top, which by default
will be in .gro format.
Mark
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