[gmx-users] About charge group
xiaowu759 at hotmail.com
Thu Jun 25 03:32:39 CEST 2009
Dear gmx users,
Recently, some questions puzzle me too much. While reading many resources, I can not think out. Therefore, I would like to turn for this mail-list. These questions are as follows:
(1) The total number of partial atom charge by summing the residue must be zero?
(2) It can set several atoms into a charge group, which is neighbour covalent but on different residues?
(3) There are some tools, which can help set the number of charge group (cgnr）?
Any reply would be thanked very much.
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