VMD-L Mailing List

From: Axel Kohlmeyer (axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de)
Date: Thu Jun 30 2005 - 15:54:32 CDT

On Thu, 30 Jun 2005, John wrote:

john,

JD> Hello vmd users,
JD>
JD> I want to visualise specific residues out of my protein when watching my MD
JD> trajectory. For example to exclude water I use "all not resname WAT". The

you only need 'not resname WAT' here.

JD> command for residues is "resid" but when I apply it I get syntax error. How

resid is the 'id' label of the residue, which may not be unique,
residue is the actual position of the residue in the file (starting
from 0).

JD> can I exclude e.g. residues 1-50 plus the water molecules?

to specify ranges you can use the 'to' opreator,
so in your case you would have to use:

not resname WAT and not residue 0 to 49

bingo!

best regards,
        axel.

JD>
JD> Thank you for your help.
JD>
JD> Kind regards,
JD>
JD> John
JD>
JD>
JD> 

-- 
=======================================================================
Dr. Axel Kohlmeyer   e-mail: axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum  http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.