[gmx-users] selecting residues which are within cutoff distances

2008-03-13 Thread maria goranovic 
Hello Folks,

I have a protein trajectory to analyze. The goal is to find all residues
within a 6 Angstrom radius of another residue, and list their names (for
example) over a trajectory. How can one do this ? I tried using g_mdmat.
However, the eps generated by using xps2pm does not really convey too much
perhaps because of bad resolution ?

Is there any other way ?

Thank you in advance

-Maria
-- 
Maria G.
Technical University of Denmark
Copenhagen
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Re: [gmx-users] selecting residues which are within cutoff distances

2008-03-13 Thread TJ Piggot 

I think g_dist with the option -dist will do what you want

Tom

--On Thursday, March 13, 2008 16:20:15 +0100 maria goranovic 
[EMAIL PROTECTED] wrote:



Hello Folks,

I have a protein trajectory to analyze. The goal is to find all residues
within a 6 Angstrom radius of another residue, and list their names (for
example) over a trajectory. How can one do this ? I tried using g_mdmat.
However, the eps generated by using xps2pm does not really convey too
much perhaps because of bad resolution ?

Is there any other way ?

Thank you in advance

-Maria
--
Maria G.
Technical University of Denmark
Copenhagen




--
TJ Piggot
[EMAIL PROTECTED]
University of Bristol, UK.

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