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? -- View this message in context: http://gromacs.5086.x6.nabble.com/GRO-Formatting-tp5008625.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
