Right. Thanks! Definitely workable.
-Shay
Quoting "Mark Abraham" <mark.abra...@anu.edu.au>:
shaya...@post.tau.ac.il wrote:
Dear Gromacs Users,
I am running a protein-ligand simulation in which the ligand
interacts with great a number of protein-residues ( > 30 ).
In the interest of analysis I want to create an index group to
include *all* residues that are found in a certain cutoff (let us
say 6A) from the surface of my ligand, and do this throughout the
entire simulation.
Can anyone give me some pointers as which Gromacs commands may help?
Check out g_dist.
Mark
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