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

[Chng Choon Peng]

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?


Thanks!

regards,
Choon-Peng
-- 
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
www.bii.a-star.edu.sg/~cpchng