[gmx-users] Re:Indexing specific atoms

parthiban at ncbs.res.in parthiban at ncbs.res.in
Fri Feb 19 10:14:38 CET 2010


Can anyone tell, how to index two specific atoms, (one form protein and
one from ligand)
eg; 440th atom of protein & 450th atom of small molecule or OED of small

My second question is:
how to calculate the distance b/w these two atoms.

i tried g_dist by including the indexed file with this, but the graph
displays a wrong answer.

In advance.


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