VMD-L Mailing List

From: Casey Johnson (j.casey.johnson_at_gmail.com)
Date: Sun Nov 06 2011 - 19:26:25 CST

Hi VMD users,

I would like to make a tcl procedure that will set some data. The
procedure I am trying to make is:

    proc process_atoms {atomselect_type, type, charge} {
        set type_wanted [atomselect top $atomselect_type]
        set_data $type_wanted $type $charge
        $type_wanted delete
    }

I'm trying to call it like:

    process_atoms "name N' NH1 0.47

However when called, I get the error:

    can't read "atomselect_type": no such variable

Pretty positive I'm missing some " or {.....any help would be great.

Thanks