Re: [AMBER] Distance between group of atoms using Ptraj

From: David A Case <case.biomaps.rutgers.edu>
Date: Thu, 8 Aug 2013 12:57:10 -0400

On Thu, Aug 08, 2013, Daniel Roe wrote:
>
> Section 8.2.3 of the AmberTools 13 manual has a decent description of
> the mask syntax. You can specify multiple residue names/numbers in
> combination with atom names/numbers. So in your case you probably want
> something like:

I'll just add that you can also use the "ambmask" command to test various
syntax possibilities until you get the one that works.

...dac


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Received on Thu Aug 08 2013 - 10:00:03 PDT
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