[gmx-users] Positioning counterions

Regina R. Monaco, Ph.D. rocket at earthlight.com
Thu Jun 5 17:03:00 CEST 2003


Hi All-

	I have a large protein with some side-chains that are negatively 
charged at physiological pH, and a dodecamer of DNA without its 
"condensation cloud" of charges. I would like to add counterions to 
these structures. How does one do this (not manually!) using Gromacs?

Thanks,
Regina




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