[gmx-users] .GRO Formatting
pmchoini at syr.edu
Thu May 30 04:57:53 CEST 2013
I'm working on a .GRO file and have come across a formatting error.
In the manual, it states that the spacing for each column in the .GRO file
residue number (5 positions, integer)
residue name (5 characters)
atom name (5 characters)
atom number (5 positions, integer)
position (in nm, x y z in 3 columns, each 8 positions with 3 decimal places)
velocity (in nm/ps (or km/s), x y z in 3 columns, each 8 positions with 4
In my .GRO file, the atom number exceeds 5 positions. How should I reformat
the .GRO file to account for this?
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