AMBER Archive (2006)

Subject: AMBER: RE: AMBER Tutorial 2 section 6, rmsd calculation: rmsd for residues number?

From: Kateryna Miroshnychenko (kateryna_mirosh_at_ire.kharkov.ua)
Date: Mon Aug 14 2006 - 08:19:46 CDT

Dear Ann,

> If I don't want to type in every atoms name after @, can I use Residue
> number instead, if yes, could you mind to teach me how to do so?
use ":" if you want to select by residue number.
See example below (here the rms fit will be done on residues 1,2,3,4
and 6)

  rms first out a-dna_0-1820ps.rmsfit :1-4,6 time 0.50

  
 regards,
 Kateryna

********************************************
 Kateryna Miroshnychenko
post-graduate student
Department of Biological Physics,
Institute of Radiophysics and Electronics,
National Academy of Sciences of Ukraine,
12, Proskura st., Kharkiv, 61085, Ukraine
E-mail:kateryna_mirosh_at_ire.kharkov.ua
********************************************

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