VMD-L Mailing List

From: Molybdos Kirkimpolakis (supercomputer.simulation_at_gmail.com)
Date: Sat Oct 15 2011 - 15:34:59 CDT

Dear VMD Masters,

I want to select many groups of atoms, labelled only in one variable. I am
doing the following but I got an error.

set sel [atomselect top "resid 743 to 748" or "resid 775 to 784" or "resid
800 to 884" ]

In addition I want to add a macro for my ions Na and Cl since I am using
amber forcefield they are named Na+ and Cl- in the pdb.

When ever I try to do the following I got an error because vmd cannot parse
the + and - in the names

atomselect delmacro ions
atomselect macro ions {resname Na+ Cl-}

 I believe there should be a way to overcome this problem. I will highly
appreciate your help in this matter.

Thanks 

-- 
cheers
Molybdos Kirkimpolakis
Πανεπιστήμιο Πατρών <http://www.biology.upatras.gr>
ΤΜΗΜΑ ΒΙΟΛΟΓΙΑΣ