[gmx-users] How to turn off charges on a residue?

Chng Choon Peng cpchng at bii.a-star.edu.sg
Thu Feb 5 10:44:01 CET 2004

Dear fellow GROMACS users,

   We need to turn off charges on each atom of a residue in our protein.
How shall we go about it? Define a new residue type? Or atom type?


Mr. Choon-Peng CHNG
Research Associate
BioInformatics Institute, BMSI, A*STAR
30 Biopolis Street
#07-01 Matrix Building
Singapore 138671
Tel (O): +65 64788301 Fax (O): +65 64789047

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