[gmx-users] Re:Indexing specific atoms

[parthiban at ncbs.res.in]

Hello,

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
molecule.

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.

thanks
In advance.

Parthiban.