[gmx-users] .GRO Formatting
Phil
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
is:
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
decimal places)
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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