Dear gmx users,<div><br></div><div>I may have a silly question, how to make a group of two atoms from the same molecule?</div><div><br></div><div>e.g, I want to make an "HN" group of both H and N from my 2nd residue,</div>
<div><br></div><div>I know for single one, commands in *.dat file is like:</div><div><br></div><div>nameN = resnr 2 and name N;</div><div>nameH = resnr 2 and name H;</div><div><br></div><div>nameN;</div><div>nameH;</div>
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<br></div><div>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.</div>
<div><br></div><div>Thanks very much! g_select is really powerful, and hopefully there would be more examples.</div><div><br></div><div>Jia</div>