On 12/17/13 1:55 PM, jkrie...@mrc-lmb.cam.ac.uk wrote:
I think g_select does something like this. I am trying to do something
similar: make a selection of water within 5A or so of a residue in my
protein. Also need help please.
The examples at the end of g_select -select 'help all' pretty well cover most of
these situations. What have you tried? What has it given you? Something like:
same residue as resname SOL and within 0.5 of residue X
provided that residue X is defined within an .ndx file provided on the command,
line should work. Disclaimer: this is just off the cuff, but probably pretty close.
-Justin
Dear Gmx Users,
I have my carbon nanotube (lenght z axis) with proteins attached to it. I
wish to collect RDF of given type of amino acids away from the surface in
two dimensions (xy). Z axis does not interest me. That would make a circle
then. My question: how to make a specific index group of this circle? Any
ideas appreciated.
Steven
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Justin A. Lemkul, Ph.D.
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