Dear gmx users, I may have a silly question, how to make a group of two atoms from the same molecule?
e.g, I want to make an "HN" group of both H and N from my 2nd residue, I know for single one, commands in *.dat file is like: nameN = resnr 2 and name N; nameH = resnr 2 and name H; nameN; nameH; I guess "merge" or "plus" might be helpful,I think it should be done something like: "nameN_H = resnr 2 and name N ?? resnr 2 and name H", so it is an intramolecular combination between N and H; it shouldn't be done afterwards, otherwise it would be an intermolecular combination. Thanks very much! g_select is really powerful, and hopefully there would be more examples. Jia
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