Hello, I have ran some MD with GROMACS v3.3.3, and used the command "trjconv -f traj.xtc -o traj.pdb -s file.gro" to generate a pdb movie. My simulation includes charged atoms in some residues, but the output pdb does not seem to include the formal charge data. My question is, is this a known issue (that GROMACS does not print the charge info. in the pdb), or, perhaps, it is a symptom of something I did wrongly? (its not a big deal, but still - it would be nice to have this data directly in the movie) Thank you for the help, Omer.
Koby Levy research group, Weizmann Institute of Science. http://www.weizmann.ac.il/sb/faculty_pages/Levy/
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