[gmx-users] Selection of multiple residues

Mark Abraham Mark.Abraham at anu.edu.au
Fri Feb 22 12:19:41 CET 2008


Berk Hess wrote:
> You don't specity what you want exactly.
> 
> make_ndx can select residue on number and name, can select multiple residues
> with one command and can select residue sequences.
> make_ndx can also select chains, if the input is a pdb or tpr file.
> 
> Berk.

Or they can do it by hand if they know they want atom 345-567 or 
whatever. See http://wiki.gromacs.org/index.php/Index_File and the 
GROMACS manual.

Mark



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